 Entering Gaussian System, Link 0=g16
 Input=03_trispirononane_STD_wB97XD-augccpVDZr.in
 Output=03_trispirononane_STD_wB97XD-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_augccpVDZ/03_trispirononane_STD/Gau-20222.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_augccpVDZ/03_trispirononane_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     20224.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 8-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=80GB
 %chk=03_trispirononane_STD_wB97XD-augccpVDZr
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jul  8 21:40:54 2021, MaxMem= 10737418240 cpu:               1.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "03_trispirononane_STD_wB97XD-augccpVDZr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.850997000000      1.132902000000     -1.105650000000
  C                                                 1.349583000000      0.074712000000     -0.171197000000
  C                                                 0.000033000000      0.589081000000     -0.000049000000
  C                                                 2.545757000000     -0.163361000000      0.661658000000
  C                                                 2.010439000000     -1.243659000000     -0.273932000000
  C                                                -0.850800000000      1.132550000000      1.105829000000
  C                                                -1.349503000000      0.074646000000      0.171128000000
  C                                                -2.010462000000     -1.243726000000      0.273569000000
  C                                                -2.545996000000     -0.163032000000     -0.661407000000
  H                                                 1.247956000000      2.136318000000     -0.998967000000
  H                                                 0.606749000000      0.844078000000     -2.122271000000
  H                                                 2.409697000000     -0.307621000000      1.726593000000
  H                                                 3.473352000000      0.323369000000      0.386964000000
  H                                                 1.522142000000     -2.099447000000      0.175269000000
  H                                                 2.586225000000     -1.466945000000     -1.163587000000
  H                                                -0.606306000000      0.843541000000      2.122338000000
  H                                                -1.247840000000      2.135964000000      0.999440000000
  H                                                -1.522526000000     -2.099396000000     -0.176207000000
  H                                                -2.585918000000     -1.467289000000      1.163367000000
  H                                                -2.410375000000     -0.306923000000     -1.726447000000
  H                                                -3.473450000000      0.323675000000     -0.386186000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1
 NAtoms=     21 NQM=       21 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          12           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250
 NucSpn=           0           0           0           0           0           0           0           0           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21
 IAtWgt=           1
 AtmWgt=   1.0078250
 NucSpn=           1
 AtZEff=   1.0000000
 NQMom=    0.0000000
 NMagM=    2.7928460
 AtZNuc=   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Jul  8 21:40:54 2021, MaxMem= 10737418240 cpu:               2.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.850997    1.132902   -1.105650
      2          6           0        1.349583    0.074712   -0.171197
      3          6           0        0.000033    0.589081   -0.000049
      4          6           0        2.545757   -0.163361    0.661658
      5          6           0        2.010439   -1.243659   -0.273932
      6          6           0       -0.850800    1.132550    1.105829
      7          6           0       -1.349503    0.074646    0.171128
      8          6           0       -2.010462   -1.243726    0.273569
      9          6           0       -2.545996   -0.163032   -0.661407
     10          1           0        1.247956    2.136318   -0.998967
     11          1           0        0.606749    0.844078   -2.122271
     12          1           0        2.409697   -0.307621    1.726593
     13          1           0        3.473352    0.323369    0.386964
     14          1           0        1.522142   -2.099447    0.175269
     15          1           0        2.586225   -1.466945   -1.163587
     16          1           0       -0.606306    0.843541    2.122338
     17          1           0       -1.247840    2.135964    0.999440
     18          1           0       -1.522526   -2.099396   -0.176207
     19          1           0       -2.585918   -1.467289    1.163367
     20          1           0       -2.410375   -0.306923   -1.726447
     21          1           0       -3.473450    0.323675   -0.386186
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.497183   0.000000
     3  C    1.497409   1.454356   0.000000
     4  C    2.770539   1.476875   2.735825   0.000000
     5  C    2.772021   1.478306   2.734169   1.526086   0.000000
     6  C    2.790475   2.755268   1.497412   3.662414   3.966963
     7  C    2.755407   2.720708   1.454370   3.933232   3.636649
     8  C    3.967185   3.636757   2.734253   4.698610   4.058005
     9  C    3.662835   3.933493   2.735933   5.260841   4.698829
    10  H    1.084344   2.223904   2.224655   3.119373   3.539958
    11  H    1.084709   2.224953   2.221926   3.539060   3.121754
    12  H    3.539245   2.207176   3.097071   1.083240   2.244476
    13  H    3.124098   2.209925   3.504900   1.082957   2.243318
    14  H    3.541083   2.208344   3.094468   2.243388   1.082861
    15  H    3.126272   2.211522   3.502778   2.243321   1.082992
    16  H    3.553501   3.110772   2.221919   3.617035   4.116536
    17  H    3.137300   3.516498   2.224638   4.448862   4.864125
    18  H    4.116458   3.602191   3.094693   4.582704   3.636437
    19  H    4.870505   4.432493   3.502761   5.318461   4.821031
    20  H    3.618706   4.086775   3.097312   5.503354   4.746669
    21  H    4.457950   4.834237   3.504943   6.129114   5.704575
                    6          7          8          9         10
     6  C    0.000000
     7  C    1.497175   0.000000
     8  C    2.772032   1.478332   0.000000
     9  C    2.770441   1.476889   1.526066   0.000000
    10  H    3.137275   3.516590   4.864292   4.449160   0.000000
    11  H    3.553631   3.111049   4.116888   3.617761   1.828344
    12  H    3.618049   4.086219   4.746091   5.502939   3.840724
    13  H    4.457559   4.834085   5.704460   6.129292   3.187472
    14  H    4.116139   3.601811   3.636099   4.582519   4.404056
    15  H    4.870397   4.432598   4.821284   5.319029   3.847281
    16  H    1.084709   2.225031   3.121904   3.539043   3.853843
    17  H    1.084343   2.223841   3.539885   3.119135   3.197285
    18  H    3.541230   2.208401   1.082844   2.243305   5.127746
    19  H    3.126197   2.211521   1.082991   2.243319   5.688608
    20  H    3.539229   2.207223   2.244459   1.083240   4.458928
    21  H    3.123889   2.209924   2.243291   1.082959   5.094394
                   11         12         13         14         15
    11  H    0.000000
    12  H    4.403497   0.000000
    13  H    3.845102   1.823216   0.000000
    14  H    3.844603   2.530810   3.118024   0.000000
    15  H    3.190333   3.119028   2.529116   1.823422   0.000000
    16  H    4.414545   3.252393   4.463822   4.120989   5.131072
    17  H    3.854030   4.458412   5.094142   5.127452   5.688558
    18  H    4.121288   4.721598   5.580838   3.064888   4.272792
    19  H    5.131370   5.159285   6.365847   4.272250   5.671488
    20  H    3.253385   5.929298   6.283472   4.721690   5.160278
    21  H    4.464620   6.282817   6.989694   5.580564   6.366344
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.828339   0.000000
    18  H    3.844951   4.404075   0.000000
    19  H    3.190364   3.847175   1.823409   0.000000
    20  H    4.403564   3.840527   2.530707   3.119021   0.000000
    21  H    3.844928   3.187113   3.117927   2.529106   1.823206
                   21
    21  H    0.000000
 Stoichiometry    C9H12
 Framework group  C1[X(C9H12)]
 Deg. of freedom    57
 Full point group                 C1      NOp   1
 RotChk:  IX=3 Diff= 2.86D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.850997    1.132902   -1.105650
      2          6           0        1.349583    0.074712   -0.171197
      3          6           0        0.000033    0.589081   -0.000049
      4          6           0        2.545757   -0.163361    0.661658
      5          6           0        2.010439   -1.243659   -0.273932
      6          6           0       -0.850800    1.132550    1.105829
      7          6           0       -1.349503    0.074646    0.171128
      8          6           0       -2.010462   -1.243726    0.273569
      9          6           0       -2.545996   -0.163032   -0.661407
     10          1           0        1.247956    2.136318   -0.998967
     11          1           0        0.606749    0.844078   -2.122271
     12          1           0        2.409697   -0.307621    1.726593
     13          1           0        3.473352    0.323369    0.386964
     14          1           0        1.522142   -2.099447    0.175269
     15          1           0        2.586225   -1.466945   -1.163587
     16          1           0       -0.606306    0.843541    2.122338
     17          1           0       -1.247840    2.135964    0.999440
     18          1           0       -1.522526   -2.099396   -0.176207
     19          1           0       -2.585918   -1.467289    1.163367
     20          1           0       -2.410375   -0.306923   -1.726447
     21          1           0       -3.473450    0.323675   -0.386186
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.1657619           1.1638082           1.0780134
 Leave Link  202 at Thu Jul  8 21:40:55 2021, MaxMem= 10737418240 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      10     11     12     13     14     15     16     17     18     19
 Centers:      20     21
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8      9
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  27 primitive shells out of 348 were deleted.
 There are   333 symmetry adapted cartesian basis functions of A   symmetry.
 There are   315 symmetry adapted basis functions of A   symmetry.
   315 basis functions,   567 primitive gaussians,   333 cartesian basis functions
    33 alpha electrons       33 beta electrons
       nuclear repulsion energy       431.2966651839 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   21 NActive=   21 NUniq=   21 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0122320788 Hartrees.
 Nuclear repulsion after empirical dispersion term =      431.2844331051 Hartrees.
 Leave Link  301 at Thu Jul  8 21:40:57 2021, MaxMem= 10737418240 cpu:              27.7 elap:               1.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   315 RedAO= T EigKep=  8.09D-06  NBF=   315
 NBsUse=   315 1.00D-06 EigRej= -1.00D+00 NBFU=   315
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   333   333   333   333   333 MxSgAt=    21 MxSgA2=    21.
 Leave Link  302 at Thu Jul  8 21:40:58 2021, MaxMem= 10737418240 cpu:               6.9 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jul  8 21:40:58 2021, MaxMem= 10737418240 cpu:               2.3 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "03_trispirononane_STD_wB97XD-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000   -0.000000
         Rot=    1.000000    0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jul  8 21:40:59 2021, MaxMem= 10737418240 cpu:               6.5 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 10737418240 LenX= 10737187857 LenY= 10737076527
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -349.948768903886    
 DIIS: error= 2.40D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -349.948768903886     IErMin= 1 ErrMin= 2.40D-03
 ErrMax= 2.40D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.86D-03 BMatP= 3.86D-03
 IDIUse=3 WtCom= 9.76D-01 WtEn= 2.40D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.457 Goal=   None    Shift=    0.000
 GapD=    0.457 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=1.48D-02 MaxDP=5.34D-01              OVMax= 1.00D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.38D-02    CP:  1.20D+00
 E= -349.952126996931     Delta-E=       -0.003358093044 Rises=F Damp=F
 DIIS: error= 2.80D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -349.952126996931     IErMin= 2 ErrMin= 2.80D-04
 ErrMax= 2.80D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.98D-05 BMatP= 3.86D-03
 IDIUse=3 WtCom= 9.97D-01 WtEn= 2.80D-03
 Coeff-Com: -0.689D-01 0.107D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.687D-01 0.107D+01
 Gap=     0.375 Goal=   None    Shift=    0.000
 RMSDP=2.06D-03 MaxDP=1.05D-01 DE=-3.36D-03 OVMax= 2.10D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  8.99D-04    CP:  1.22D+00  1.13D+00
 E= -349.952212530982     Delta-E=       -0.000085534051 Rises=F Damp=F
 DIIS: error= 1.60D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -349.952212530982     IErMin= 3 ErrMin= 1.60D-04
 ErrMax= 1.60D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.66D-06 BMatP= 4.98D-05
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.60D-03
 Coeff-Com: -0.218D-01 0.239D+00 0.782D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.218D-01 0.239D+00 0.783D+00
 Gap=     0.376 Goal=   None    Shift=    0.000
 RMSDP=1.53D-04 MaxDP=7.89D-03 DE=-8.55D-05 OVMax= 7.85D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  5.22D-05    CP:  1.22D+00  1.14D+00  1.09D+00
 E= -349.952219600388     Delta-E=       -0.000007069406 Rises=F Damp=F
 DIIS: error= 5.75D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -349.952219600388     IErMin= 4 ErrMin= 5.75D-05
 ErrMax= 5.75D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.69D-06 BMatP= 6.66D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.161D-02-0.694D-01 0.297D+00 0.771D+00
 Coeff:      0.161D-02-0.694D-01 0.297D+00 0.771D+00
 Gap=     0.375 Goal=   None    Shift=    0.000
 RMSDP=5.14D-05 MaxDP=2.93D-03 DE=-7.07D-06 OVMax= 3.06D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.23D-05    CP:  1.22D+00  1.14D+00  1.13D+00  1.03D+00
 E= -349.952221493568     Delta-E=       -0.000001893180 Rises=F Damp=F
 DIIS: error= 9.37D-06 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -349.952221493568     IErMin= 5 ErrMin= 9.37D-06
 ErrMax= 9.37D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.59D-08 BMatP= 1.69D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.168D-02-0.350D-01 0.496D-01 0.220D+00 0.764D+00
 Coeff:      0.168D-02-0.350D-01 0.496D-01 0.220D+00 0.764D+00
 Gap=     0.375 Goal=   None    Shift=    0.000
 RMSDP=5.97D-06 MaxDP=1.58D-04 DE=-1.89D-06 OVMax= 6.12D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  5.03D-06    CP:  1.22D+00  1.14D+00  1.13D+00  1.06D+00  1.08D+00
 E= -349.952221555359     Delta-E=       -0.000000061791 Rises=F Damp=F
 DIIS: error= 3.01D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -349.952221555359     IErMin= 6 ErrMin= 3.01D-06
 ErrMax= 3.01D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.48D-09 BMatP= 5.59D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.174D-03-0.520D-03-0.142D-01-0.174D-01 0.197D+00 0.835D+00
 Coeff:      0.174D-03-0.520D-03-0.142D-01-0.174D-01 0.197D+00 0.835D+00
 Gap=     0.375 Goal=   None    Shift=    0.000
 RMSDP=3.35D-06 MaxDP=2.06D-04 DE=-6.18D-08 OVMax= 2.57D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.60D-06    CP:  1.22D+00  1.14D+00  1.13D+00  1.07D+00  1.10D+00
                    CP:  1.11D+00
 E= -349.952221561704     Delta-E=       -0.000000006344 Rises=F Damp=F
 DIIS: error= 9.41D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -349.952221561704     IErMin= 7 ErrMin= 9.41D-07
 ErrMax= 9.41D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.59D-10 BMatP= 4.48D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.370D-04 0.166D-02-0.673D-02-0.165D-01 0.173D-02 0.222D+00
 Coeff-Com:  0.798D+00
 Coeff:     -0.370D-04 0.166D-02-0.673D-02-0.165D-01 0.173D-02 0.222D+00
 Coeff:      0.798D+00
 Gap=     0.375 Goal=   None    Shift=    0.000
 RMSDP=9.00D-07 MaxDP=5.47D-05 DE=-6.34D-09 OVMax= 8.16D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  3.47D-07    CP:  1.22D+00  1.14D+00  1.13D+00  1.07D+00  1.10D+00
                    CP:  1.15D+00  1.16D+00
 E= -349.952221562154     Delta-E=       -0.000000000450 Rises=F Damp=F
 DIIS: error= 4.03D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -349.952221562154     IErMin= 8 ErrMin= 4.03D-07
 ErrMax= 4.03D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.57D-11 BMatP= 3.59D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.382D-04 0.778D-03-0.141D-02-0.517D-02-0.260D-01-0.101D-01
 Coeff-Com:  0.341D+00 0.701D+00
 Coeff:     -0.382D-04 0.778D-03-0.141D-02-0.517D-02-0.260D-01-0.101D-01
 Coeff:      0.341D+00 0.701D+00
 Gap=     0.375 Goal=   None    Shift=    0.000
 RMSDP=2.91D-07 MaxDP=1.57D-05 DE=-4.50D-10 OVMax= 2.78D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.45D-07    CP:  1.22D+00  1.14D+00  1.13D+00  1.06D+00  1.10D+00
                    CP:  1.16D+00  1.23D+00  1.00D+00
 E= -349.952221562279     Delta-E=       -0.000000000126 Rises=F Damp=F
 DIIS: error= 4.65D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -349.952221562279     IErMin= 9 ErrMin= 4.65D-08
 ErrMax= 4.65D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.54D-12 BMatP= 7.57D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.186D-05-0.266D-04 0.288D-03 0.788D-03-0.304D-02-0.160D-01
 Coeff-Com: -0.170D-01 0.688D-01 0.966D+00
 Coeff:     -0.186D-05-0.266D-04 0.288D-03 0.788D-03-0.304D-02-0.160D-01
 Coeff:     -0.170D-01 0.688D-01 0.966D+00
 Gap=     0.375 Goal=   None    Shift=    0.000
 RMSDP=8.13D-08 MaxDP=3.52D-06 DE=-1.26D-10 OVMax= 7.78D-07

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  3.20D-08    CP:  1.22D+00  1.14D+00  1.13D+00  1.06D+00  1.09D+00
                    CP:  1.17D+00  1.25D+00  1.06D+00  1.09D+00
 E= -349.952221562262     Delta-E=        0.000000000017 Rises=F Damp=F
 DIIS: error= 1.75D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin= 9 EnMin= -349.952221562279     IErMin=10 ErrMin= 1.75D-08
 ErrMax= 1.75D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.75D-13 BMatP= 1.54D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.208D-05-0.607D-04 0.168D-03 0.597D-03 0.963D-03-0.366D-02
 Coeff-Com: -0.275D-01-0.301D-01 0.260D+00 0.799D+00
 Coeff:      0.208D-05-0.607D-04 0.168D-03 0.597D-03 0.963D-03-0.366D-02
 Coeff:     -0.275D-01-0.301D-01 0.260D+00 0.799D+00
 Gap=     0.375 Goal=   None    Shift=    0.000
 RMSDP=1.51D-08 MaxDP=5.98D-07 DE= 1.73D-11 OVMax= 1.76D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  7.81D-09    CP:  1.22D+00  1.14D+00  1.13D+00  1.06D+00  1.09D+00
                    CP:  1.17D+00  1.25D+00  1.07D+00  1.14D+00  1.15D+00
 E= -349.952221562276     Delta-E=       -0.000000000014 Rises=F Damp=F
 DIIS: error= 4.64D-09 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin= 9 EnMin= -349.952221562279     IErMin=11 ErrMin= 4.64D-09
 ErrMax= 4.64D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.62D-14 BMatP= 1.75D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.789D-06-0.172D-04 0.296D-04 0.132D-03 0.490D-03-0.484D-04
 Coeff-Com: -0.703D-02-0.140D-01 0.103D-01 0.243D+00 0.767D+00
 Coeff:      0.789D-06-0.172D-04 0.296D-04 0.132D-03 0.490D-03-0.484D-04
 Coeff:     -0.703D-02-0.140D-01 0.103D-01 0.243D+00 0.767D+00
 Gap=     0.375 Goal=   None    Shift=    0.000
 RMSDP=3.99D-09 MaxDP=1.04D-07 DE=-1.43D-11 OVMax= 5.70D-08

 SCF Done:  E(RwB97XD) =  -349.952221562     A.U. after   11 cycles
            NFock= 11  Conv=0.40D-08     -V/T= 2.0062
 KE= 3.477871168020D+02 PE=-1.672598842048D+03 EE= 5.435750705785D+02
 Leave Link  502 at Thu Jul  8 21:42:54 2021, MaxMem= 10737418240 cpu:            1826.5 elap:             114.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   315
 NBasis=   315 NAE=    33 NBE=    33 NFC=     0 NFV=     0
 NROrb=    315 NOA=    33 NOB=    33 NVA=   282 NVB=   282

 **** Warning!!: The largest alpha MO coefficient is  0.75594597D+02

 Leave Link  801 at Thu Jul  8 21:42:54 2021, MaxMem= 10737418240 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         6490 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   10737418240 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          21
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.55D-13 8.33D-09 XBig12= 1.00D+00 2.01D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.55D-13 8.33D-09 XBig12= 1.43D-01 3.82D-02.
     11 vectors produced by pass  2 Test12= 1.55D-13 8.33D-09 XBig12= 2.94D-02 1.97D-02.
     11 vectors produced by pass  3 Test12= 1.55D-13 8.33D-09 XBig12= 2.32D-03 7.00D-03.
     11 vectors produced by pass  4 Test12= 1.55D-13 8.33D-09 XBig12= 1.08D-04 1.63D-03.
     11 vectors produced by pass  5 Test12= 1.55D-13 8.33D-09 XBig12= 6.39D-06 2.34D-04.
     11 vectors produced by pass  6 Test12= 1.55D-13 8.33D-09 XBig12= 3.90D-07 9.49D-05.
     11 vectors produced by pass  7 Test12= 1.55D-13 8.33D-09 XBig12= 1.10D-08 1.65D-05.
     11 vectors produced by pass  8 Test12= 1.55D-13 8.33D-09 XBig12= 1.86D-10 1.97D-06.
      8 vectors produced by pass  9 Test12= 1.55D-13 8.33D-09 XBig12= 4.40D-12 2.86D-07.
      5 vectors produced by pass 10 Test12= 1.55D-13 8.33D-09 XBig12= 9.38D-14 4.81D-08.
      1 vectors produced by pass 11 Test12= 1.55D-13 8.33D-09 XBig12= 1.03D-14 9.31D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 4.26D-14
 Solved reduced A of dimension   113 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.121695D+03
      2 -0.363232D-03  0.989114D+02
      3  0.166135D+01  0.910032D-04  0.934901D+02
 Isotropic polarizability for W=    0.085645      104.70 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.178634D-01 -0.268793D+02 -0.364163D-02
      2   0.566367D-02 -0.834603D+01 -0.112362D-01
      3   0.121997D-01  0.352253D+02  0.148779D-01
      4  -0.289958D+02 -0.106490D-02 -0.102036D+01
      5  -0.268688D-02  0.234495D+01  0.131865D-01
      6  -0.232106D+01 -0.129783D-01  0.174196D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.843122D+01 -0.256744D-03  0.193261D+01
      2  -0.147472D-02 -0.251549D+01  0.385473D-02
      3   0.258628D+02 -0.228309D-03 -0.410544D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.336531D+01 -0.174204D-02  0.178058D+02
      2  -0.954756D-03  0.130070D+01  0.986768D-03
      3  -0.211648D+01  0.672857D-02 -0.466600D+01
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.246914D+01  0.957660D-04 -0.498768D+01
      2   0.957660D-04  0.248806D+01  0.578120D-04
      3  -0.498768D+01  0.578120D-04  0.179137D+01
 OR G Eigenvalues:    -5.7624     2.4881     5.0847  Iso=    -0.6034
 Eigenvectors:
   (1)   0.834499  -0.000014   0.551009
   (2)   0.000010   1.000000   0.000009
   (3)  -0.551009  -0.000002   0.834499
 w=    0.085645 a.u., Optical Rotation Beta=     -0.6034 au.
 Molar Mass =    120.1938 grams/mole, [Alpha] ( 5320.0 A) =     -238.11 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   49770 ScalPx= 4.46D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   49770 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 8.17D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.59D-14 2.78D-09 XBig12= 1.00D+00 3.83D-01.
     30 vectors produced by pass  1 Test12= 2.59D-14 2.78D-09 XBig12= 2.63D-02 2.47D-02.
     30 vectors produced by pass  2 Test12= 2.59D-14 2.78D-09 XBig12= 1.07D-03 4.60D-03.
     30 vectors produced by pass  3 Test12= 2.59D-14 2.78D-09 XBig12= 2.25D-05 6.57D-04.
     30 vectors produced by pass  4 Test12= 2.59D-14 2.78D-09 XBig12= 4.77D-07 1.32D-04.
     30 vectors produced by pass  5 Test12= 2.59D-14 2.78D-09 XBig12= 4.83D-09 1.12D-05.
     30 vectors produced by pass  6 Test12= 2.59D-14 2.78D-09 XBig12= 4.55D-11 6.72D-07.
     30 vectors produced by pass  7 Test12= 2.59D-14 2.78D-09 XBig12= 3.48D-13 5.97D-08.
      9 vectors produced by pass  8 Test12= 2.59D-14 2.78D-09 XBig12= 8.34D-15 1.66D-08.
      2 vectors produced by pass  9 Test12= 2.59D-14 2.78D-09 XBig12= 4.54D-15 9.13D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   251 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   49770 ScalPx= 2.54D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   49770 ScalPx= 2.54D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   49770 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.21D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.121695D+03 -0.363232D-03  0.166135D+01
      2  -0.363232D-03  0.989114D+02  0.910032D-04
      3   0.166135D+01  0.910032D-04  0.934901D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.843122D+01 -0.256744D-03  0.193261D+01
      2  -0.147472D-02 -0.251549D+01  0.385473D-02
      3   0.258628D+02 -0.228309D-03 -0.410544D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.178634D-01 -0.268793D+02 -0.364163D-02
      2   0.566367D-02 -0.834603D+01 -0.112362D-01
      3   0.121997D-01  0.352253D+02  0.148779D-01
      4  -0.289958D+02 -0.106490D-02 -0.102036D+01
      5  -0.268688D-02  0.234495D+01  0.131865D-01
      6  -0.232106D+01 -0.129783D-01  0.174196D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    63 ND12= 1 LenFil=    2271:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.369320D+01  0.345246D+01 -0.572601D+01 -0.980520D+00 -0.340405D+01
      2   0.345246D+01 -0.449472D+01  0.985999D+00 -0.340405D+01 -0.225424D+01
      3  -0.572601D+01  0.985999D+00  0.294864D+01  0.199209D+01 -0.152776D+01
                 6             7             8             9            10 
      1   0.199209D+01 -0.225807D+01 -0.123388D+01  0.205710D+01 -0.582849D-01
      2  -0.152776D+01 -0.123388D+01 -0.295362D+01  0.254931D+01  0.732631D+00
      3   0.350796D+01  0.205710D+01  0.254931D+01  0.231254D+01 -0.147395D+01
                11            12            13            14            15 
      1   0.732631D+00 -0.147395D+01  0.245268D+01 -0.105169D+01 -0.317367D+01
      2   0.975180D-01  0.851826D+00 -0.105169D+01  0.119051D+01  0.132677D+01
      3   0.851826D+00 -0.319985D+00 -0.317367D+01  0.132677D+01 -0.150375D+01
                16            17            18            19            20 
      1  -0.563770D+01 -0.120221D+01  0.129325D+01 -0.118962D-02 -0.589136D+00
      2  -0.120221D+01  0.333208D+01 -0.114266D+01 -0.589136D+00  0.829556D-04
      3   0.129325D+01 -0.114266D+01  0.133173D+00  0.322072D-04 -0.208047D+00
                21            22            23            24            25 
      1   0.322072D-04  0.213663D+01 -0.202733D-02  0.373890D+01  0.539108D-03
      2  -0.208047D+00 -0.202733D-02  0.676431D+00  0.166922D-03  0.542374D+01
      3  -0.314765D-04  0.373890D+01  0.166922D-03 -0.259048D+01  0.232205D-02
                26            27            28            29            30 
      1   0.542374D+01  0.232205D-02  0.105225D+01 -0.354173D+01  0.335134D+01
      2   0.318803D-03 -0.121306D+01 -0.354173D+01 -0.247106D+00 -0.449848D+00
      3  -0.121306D+01 -0.155753D-02  0.335134D+01 -0.449848D+00  0.232582D+01
                31            32            33            34            35 
      1  -0.605602D+01  0.258617D+01 -0.174906D+00  0.472295D+01  0.142163D+01
      2   0.258617D+01  0.257154D+01  0.346854D+01  0.142163D+01  0.212492D+01
      3  -0.174906D+00  0.346854D+01  0.272043D+01  0.970792D+00  0.169232D+01
                36            37            38            39            40 
      1   0.970792D+00  0.149747D+01 -0.322739D+01  0.586944D+00 -0.239305D+01
      2   0.169232D+01 -0.322739D+01  0.313174D+01 -0.356335D+01  0.276553D+01
      3  -0.302031D+01  0.586944D+00 -0.356335D+01 -0.363030D+01 -0.106928D+01
                41            42            43            44            45 
      1   0.276553D+01 -0.106928D+01  0.235641D+01 -0.431097D+01 -0.287228D+01
      2  -0.248944D+01 -0.239789D+01 -0.431097D+01 -0.253137D+01 -0.211944D+00
      3  -0.239789D+01 -0.617620D+00 -0.287228D+01 -0.211944D+00  0.407022D+00
                46            47            48            49            50 
      1  -0.369212D+01  0.344968D+01  0.572557D+01 -0.981096D+00  0.340486D+01
      2   0.344968D+01  0.449425D+01  0.987456D+00  0.340486D+01 -0.225578D+01
      3   0.572557D+01  0.987456D+00 -0.295051D+01  0.199417D+01  0.152486D+01
                51            52            53            54            55 
      1   0.199417D+01  0.225673D+01 -0.123314D+01 -0.205975D+01  0.640779D-01
      2   0.152486D+01 -0.123314D+01  0.295078D+01  0.255036D+01  0.732816D+00
      3   0.350761D+01 -0.205975D+01  0.255036D+01 -0.230862D+01  0.147440D+01
                56            57            58            59            60 
      1   0.732816D+00  0.147440D+01  0.245058D+01  0.105308D+01 -0.317301D+01
      2  -0.984669D-01  0.851416D+00  0.105308D+01  0.119331D+01 -0.132507D+01
      3   0.851416D+00  0.320316D+00 -0.317301D+01 -0.132507D+01 -0.150357D+01
                61            62            63            64            65 
      1   0.563809D+01 -0.120227D+01 -0.129558D+01 -0.149917D+01 -0.323114D+01
      2  -0.120227D+01 -0.333086D+01 -0.114444D+01 -0.323114D+01 -0.312759D+01
      3  -0.129558D+01 -0.114444D+01 -0.134543D+00 -0.586205D+00 -0.356509D+01
                66            67            68            69            70 
      1  -0.586205D+00 -0.239479D+01 -0.276236D+01 -0.107080D+01 -0.235531D+01
      2  -0.356509D+01 -0.276236D+01 -0.249183D+01  0.239874D+01 -0.431170D+01
      3   0.362726D+01 -0.107080D+01  0.239874D+01 -0.614771D+00  0.287019D+01
                71            72            73            74            75 
      1  -0.431170D+01  0.287019D+01 -0.105927D+01 -0.354070D+01 -0.335373D+01
      2   0.253294D+01 -0.207314D+00 -0.354070D+01  0.247942D+00 -0.447446D+00
      3  -0.207314D+00 -0.411214D+00 -0.335373D+01 -0.447446D+00 -0.232268D+01
                76            77            78            79            80 
      1  -0.605421D+01 -0.258691D+01 -0.173214D+00 -0.472543D+01  0.142344D+01
      2  -0.258691D+01  0.257483D+01 -0.346863D+01  0.142344D+01 -0.212533D+01
      3  -0.173214D+00 -0.346863D+01  0.271690D+01 -0.966178D+00  0.168944D+01
                81            82            83            84            85 
      1  -0.966178D+00  0.160723D+01  0.147919D+01 -0.153364D+00  0.294532D+01
      2   0.168944D+01  0.147919D+01  0.333119D+01 -0.857507D+00  0.301938D+01
      3   0.302505D+01 -0.153364D+00 -0.857507D+00  0.383238D+00 -0.978498D+00
                86            87            88            89            90 
      1   0.301938D+01 -0.978498D+00  0.103059D+01  0.313492D-02  0.198373D+00
      2   0.951787D+01 -0.212238D+01  0.313492D-02  0.523070D+00  0.109436D+01
      3  -0.212238D+01  0.178909D+01  0.198373D+00  0.109436D+01 -0.115447D+01
                91            92            93            94            95 
      1  -0.929331D+00 -0.887683D-01 -0.261937D+00 -0.970741D+00  0.551566D+00
      2  -0.887683D-01  0.196369D+00  0.358823D-01  0.551566D+00  0.444594D+00
      3  -0.261937D+00  0.358823D-01 -0.170489D+01 -0.275716D+00 -0.107727D+01
                96            97            98            99           100 
      1  -0.275716D+00 -0.169044D+01  0.683264D-01 -0.228055D+00  0.801323D+00
      2  -0.107727D+01  0.683264D-01 -0.157183D+01  0.110643D+01  0.619260D+00
      3  -0.184118D+01 -0.228055D+00  0.110643D+01 -0.101007D+02  0.710718D+00
               101           102           103           104           105 
      1   0.619260D+00  0.710718D+00  0.575332D+00  0.272474D+00  0.153628D+00
      2  -0.256914D+00  0.282082D+00  0.272474D+00 -0.600364D+00  0.503391D+00
      3   0.282082D+00 -0.491222D+00  0.153628D+00  0.503391D+00 -0.106730D+01
               106           107           108           109           110 
      1   0.252791D+01 -0.310636D+00  0.269162D+01  0.104974D+02  0.282276D+01
      2  -0.310636D+00  0.117289D+01 -0.708019D+00  0.282276D+01  0.183398D+01
      3   0.269162D+01 -0.708019D+00  0.925422D+01  0.533114D+00  0.197771D+00
               111           112           113           114           115 
      1   0.533114D+00  0.519407D+01  0.184961D+01  0.257084D+00 -0.205879D+01
      2   0.197771D+00  0.184961D+01  0.129543D+01 -0.195686D+00 -0.384032D+00
      3   0.113375D+01  0.257084D+00 -0.195686D+00  0.592944D+00  0.134473D+01
               116           117           118           119           120 
      1  -0.384032D+00  0.134473D+01 -0.114742D+01 -0.467091D+00  0.635489D-01
      2  -0.918459D+00  0.215636D+00 -0.467091D+00 -0.291886D+01  0.976804D+00
      3   0.215636D+00  0.459393D+00  0.635489D-01  0.976804D+00 -0.312249D+00
               121           122           123           124           125 
      1  -0.126524D+01 -0.386527D+00  0.407255D+00  0.796692D+00  0.767885D+00
      2  -0.386527D+00 -0.757513D+01  0.102323D+01  0.767885D+00  0.237522D+01
      3   0.407255D+00  0.102323D+01 -0.124916D+01  0.317495D+00 -0.141431D+01
               126           127           128           129           130 
      1   0.317495D+00  0.329400D+01 -0.148552D+01 -0.212069D+01 -0.569185D+00
      2  -0.141431D+01 -0.148552D+01  0.136280D+01  0.164423D+01  0.114069D+01
      3   0.876692D+00 -0.212069D+01  0.164423D+01  0.280487D+01  0.991931D+00
               131           132           133           134           135 
      1   0.114069D+01  0.991931D+00 -0.405349D+01  0.246862D+01  0.339656D+01
      2  -0.243849D+01 -0.135958D+01  0.246862D+01 -0.267514D+01 -0.257425D+01
      3  -0.135958D+01 -0.103617D+01  0.339656D+01 -0.257425D+01 -0.511711D+01
               136           137           138           139           140 
      1   0.930496D+00 -0.887228D-01  0.262090D+00 -0.971165D+00 -0.551317D+00
      2  -0.887228D-01 -0.195915D+00  0.357864D-01 -0.551317D+00  0.443899D+00
      3   0.262090D+00  0.357864D-01  0.170689D+01 -0.276188D+00  0.107761D+01
               141           142           143           144           145 
      1  -0.276188D+00  0.169027D+01  0.684058D-01  0.230121D+00 -0.160781D+01
      2   0.107761D+01  0.684058D-01  0.157141D+01  0.110473D+01  0.147919D+01
      3  -0.184207D+01  0.230121D+00  0.110473D+01  0.100992D+02  0.153919D+00
               146           147           148           149           150 
      1   0.147919D+01  0.153919D+00  0.294556D+01 -0.301897D+01 -0.979131D+00
      2  -0.333113D+01 -0.858261D+00 -0.301897D+01  0.951565D+01  0.212386D+01
      3  -0.858261D+00 -0.383647D+00 -0.979131D+00  0.212386D+01  0.178976D+01
               151           152           153           154           155 
      1  -0.102951D+01  0.259500D-02 -0.198329D+00  0.114595D+01 -0.466147D+00
      2   0.259500D-02 -0.520851D+00  0.109442D+01 -0.466147D+00  0.291574D+01
      3  -0.198329D+00  0.109442D+01  0.115530D+01 -0.639901D-01  0.977622D+00
               156           157           158           159           160 
      1  -0.639901D-01 -0.126461D+01  0.384628D+00  0.407329D+00 -0.797856D+00
      2   0.977622D+00  0.384628D+00 -0.757440D+01 -0.102632D+01  0.767495D+00
      3   0.312655D+00  0.407329D+00 -0.102632D+01 -0.125007D+01 -0.317260D+00
               161           162           163           164           165 
      1   0.767495D+00 -0.317260D+00 -0.329060D+01 -0.148457D+01  0.211896D+01
      2  -0.237944D+01 -0.141636D+01 -0.148457D+01 -0.136301D+01  0.164433D+01
      3  -0.141636D+01 -0.878783D+00  0.211896D+01  0.164433D+01 -0.280299D+01
               166           167           168           169           170 
      1  -0.569639D+00 -0.114142D+01  0.992431D+00  0.405230D+01  0.246903D+01
      2  -0.114142D+01 -0.244022D+01  0.136004D+01  0.246903D+01  0.267646D+01
      3   0.992431D+00  0.136004D+01 -0.103725D+01 -0.339524D+01 -0.257563D+01
               171           172           173           174           175 
      1  -0.339524D+01 -0.802645D+00  0.619595D+00 -0.711000D+00  0.576216D+00
      2  -0.257563D+01  0.619595D+00  0.256221D+00  0.281659D+00 -0.272761D+00
      3   0.511777D+01 -0.711000D+00  0.281659D+00  0.488540D+00  0.153860D+00
               176           177           178           179           180 
      1  -0.272761D+00  0.153860D+00 -0.252931D+01 -0.310216D+00 -0.269463D+01
      2  -0.599652D+00 -0.503034D+00 -0.310216D+00 -0.117271D+01 -0.705376D+00
      3  -0.503034D+00 -0.106462D+01 -0.269463D+01 -0.705376D+00 -0.925509D+01
               181           182           183           184           185 
      1  -0.104956D+02  0.282332D+01 -0.529758D+00  0.519387D+01 -0.184996D+01
      2   0.282332D+01 -0.183412D+01  0.196692D+00 -0.184996D+01  0.129549D+01
      3  -0.529758D+00  0.196692D+00 -0.113347D+01  0.255729D+00  0.196423D+00
               186           187           188           189 
      1   0.255729D+00  0.206341D+01 -0.385250D+00 -0.134526D+01
      2   0.196423D+00 -0.385250D+00  0.919527D+00  0.216352D+00
      3   0.593304D+00 -0.134526D+01  0.216352D+00 -0.457965D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.413880D+01  0.500153D+01 -0.645827D+01  0.519211D+01  0.826000D+01
      2  -0.222742D+01  0.254591D+01  0.183323D+01  0.459434D+01 -0.768665D+01
      3   0.220441D+00  0.445886D+01 -0.696811D+01  0.641764D+01 -0.300986D+01
                 6             7             8             9            10 
      1  -0.771098D+01 -0.365784D+01  0.395365D+01 -0.917963D+01 -0.124727D+00
      2   0.584082D+01 -0.532488D+01  0.239439D+01  0.595640D+01 -0.108767D+01
      3   0.359929D+01 -0.617262D+01  0.258098D+01  0.944566D+00  0.431434D+01
                11            12            13            14            15 
      1   0.100713D+01  0.255942D+01 -0.209082D+01  0.593523D+00 -0.410798D+01
      2  -0.113847D+00  0.380223D+01 -0.231030D+01  0.238067D+01 -0.559274D+01
      3  -0.797029D+01 -0.163052D+00  0.128524D+02 -0.328122D+01 -0.194768D+01
                16            17            18            19            20 
      1  -0.700543D+01  0.413235D+01  0.152191D+00  0.127409D-02 -0.233049D+01
      2  -0.919505D+01  0.192545D+01  0.240654D+00 -0.364877D+01 -0.854676D-03
      3  -0.653828D+00 -0.670414D+01  0.305013D+01 -0.841666D-03 -0.564403D+01
                21            22            23            24            25 
      1  -0.857255D-04  0.333722D+01 -0.461061D-03 -0.770878D+00 -0.116914D-02
      2   0.673656D+01 -0.101492D-03 -0.619357D+00  0.424826D-03 -0.135888D+02
      3   0.360271D-03  0.141781D+02 -0.300098D-02 -0.449724D+00  0.294042D-03
                26            27            28            29            30 
      1   0.366524D+01  0.214819D-02 -0.363955D+01  0.141637D+01  0.324644D+00
      2  -0.521046D-03  0.966014D+00  0.132305D+02  0.247487D+01  0.901291D+01
      3   0.593764D+01  0.217866D-02  0.963148D+01 -0.302754D+01  0.560353D+00
                31            32            33            34            35 
      1  -0.132448D+01  0.437144D+01  0.857816D+00  0.249072D+01  0.532228D+01
      2   0.449441D+01  0.101957D+02  0.856787D+01 -0.496686D+01  0.428737D+01
      3  -0.338875D+01 -0.964966D+01 -0.102032D+02 -0.313811D+01 -0.922641D+01
                36            37            38            39            40 
      1   0.294585D+01  0.166480D+01 -0.846562D+01 -0.418954D+01 -0.510219D+01
      2  -0.120028D+02 -0.791381D+00 -0.785591D+01 -0.610048D+01 -0.477326D+01
      3  -0.680942D+01  0.835135D+01 -0.825934D+01  0.785458D+01  0.958936D+00
                41            42            43            44            45 
      1  -0.485799D+01 -0.340848D+01 -0.603097D+01  0.575359D+01  0.102233D+01
      2  -0.404362D+01 -0.298354D+01 -0.752936D+01 -0.235220D+01 -0.100151D+01
      3   0.926284D+00  0.102013D+02  0.913290D+01  0.139038D+02  0.726906D+01
                46            47            48            49            50 
      1  -0.414033D+01  0.500054D+01  0.646304D+01  0.519114D+01 -0.825805D+01
      2  -0.222762D+01 -0.254500D+01  0.183468D+01 -0.459405D+01 -0.768444D+01
      3  -0.220747D+00  0.445428D+01  0.696805D+01  0.641343D+01  0.300788D+01
                51            52            53            54            55 
      1  -0.771365D+01  0.366527D+01  0.394842D+01  0.917382D+01  0.124797D+00
      2  -0.584273D+01 -0.532209D+01 -0.239760D+01  0.595480D+01 -0.108835D+01
      3   0.359856D+01  0.617153D+01  0.257984D+01 -0.946914D+00 -0.431303D+01
                56            57            58            59            60 
      1   0.100656D+01 -0.255950D+01 -0.209247D+01 -0.594044D+00 -0.410727D+01
      2   0.114398D+00  0.380250D+01  0.230995D+01  0.237809D+01  0.559211D+01
      3  -0.797135D+01  0.162925D+00  0.128532D+02  0.328589D+01 -0.194375D+01
                61            62            63            64            65 
      1   0.700530D+01  0.413150D+01 -0.150949D+00 -0.166176D+01 -0.846432D+01
      2  -0.919314D+01 -0.192237D+01  0.242767D+00 -0.791752D+00  0.786153D+01
      3   0.654759D+00 -0.670234D+01 -0.305360D+01 -0.835920D+01 -0.824202D+01
                66            67            68            69            70 
      1   0.418619D+01 -0.510124D+01  0.485985D+01 -0.340222D+01  0.602917D+01
      2  -0.609432D+01  0.477637D+01 -0.404888D+01  0.297664D+01 -0.752484D+01
      3  -0.786232D+01  0.974124D+00 -0.939112D+00  0.102079D+02 -0.913704D+01
                71            72            73            74            75 
      1   0.576254D+01 -0.102650D+01  0.363788D+01  0.141577D+01 -0.325481D+00
      2   0.233961D+01 -0.988929D+00  0.132328D+02 -0.248129D+01  0.900070D+01
      3   0.139116D+02 -0.725394D+01 -0.962929D+01 -0.302891D+01 -0.553386D+00
                76            77            78            79            80 
      1  -0.132366D+01 -0.437185D+01  0.855368D+00 -0.249307D+01  0.531913D+01
      2  -0.449796D+01  0.101964D+02 -0.855608D+01 -0.498332D+01 -0.427515D+01
      3  -0.339291D+01  0.966270D+01 -0.102055D+02  0.314147D+01 -0.922785D+01
                81            82            83            84            85 
      1  -0.294255D+01 -0.243319D+01 -0.365752D+01 -0.338587D+00 -0.252068D+01
      2  -0.120147D+02  0.190174D+01  0.914112D+00  0.113417D+01  0.268811D+01
      3   0.679897D+01  0.127502D+01 -0.325460D+01  0.881586D+00  0.447358D+01
                86            87            88            89            90 
      1  -0.107971D+02 -0.236188D+01 -0.350082D+00 -0.133019D+01  0.316762D+00
      2   0.168807D+01  0.152038D+01 -0.190830D+00  0.121309D+01 -0.891261D+00
      3  -0.463175D+01  0.555946D+00  0.127211D+01 -0.160819D+00 -0.679923D+00
                91            92            93            94            95 
      1   0.148639D+01  0.422313D-01  0.300510D+01 -0.330860D+00  0.131281D+01
      2  -0.271740D+01 -0.356148D+00 -0.105762D+01 -0.184749D+01 -0.651437D+00
      3  -0.797302D+00 -0.540692D+00 -0.373884D+00 -0.417294D+00  0.832257D-01
                96            97            98            99           100 
      1   0.316496D+01  0.358662D+00  0.368551D+01  0.134723D+02  0.983608D+00
      2  -0.267400D+01 -0.609808D+01  0.112089D+01 -0.108219D+02  0.239352D+01
      3   0.406375D+00 -0.239210D+01  0.114344D+01 -0.145480D+01 -0.140354D+01
               101           102           103           104           105 
      1  -0.377347D-01  0.289691D+00  0.144514D+00 -0.812010D+00 -0.716862D+00
      2   0.318081D+00 -0.151352D+01 -0.394093D+00  0.147374D+01 -0.338916D+01
      3  -0.158587D+00 -0.110422D+01 -0.205839D+00  0.157698D+01 -0.117864D+01
               106           107           108           109           110 
      1   0.526115D-01  0.419338D+01  0.137524D+01  0.330928D+01  0.178648D+01
      2   0.238904D+01 -0.181788D+01  0.261789D+02 -0.660844D+01 -0.142247D+01
      3   0.675946D+00 -0.377651D+01  0.189684D+01 -0.820847D+01 -0.872521D+01
               111           112           113           114           115 
      1  -0.659657D+00  0.212537D+01  0.116878D+01 -0.112752D+01 -0.482880D+00
      2   0.583232D+01 -0.281136D+01 -0.209485D+01  0.252365D+01  0.444647D+01
      3  -0.749794D+00 -0.327974D+01 -0.426410D+01  0.605327D+00  0.956681D+00
               116           117           118           119           120 
      1   0.341962D+00  0.677158D+00  0.942394D+00  0.269179D+01 -0.177501D+01
      2   0.115944D+01  0.357204D+00  0.631776D+00  0.145098D+01 -0.812808D-01
      3   0.271880D+01 -0.617801D+00  0.548403D+01  0.791517D+01 -0.308790D+01
               121           122           123           124           125 
      1   0.585277D+00  0.433633D+01 -0.508542D+01  0.358199D+00 -0.235047D+01
      2   0.669922D+00  0.176160D+01 -0.195201D+01 -0.246210D+00 -0.274659D+01
      3   0.611651D+01  0.201162D+02 -0.334126D+01 -0.391299D+01 -0.754841D+01
               126           127           128           129           130 
      1   0.254691D+01 -0.329015D+01  0.138043D+01  0.456541D+01  0.123794D+01
      2   0.139142D+01 -0.248407D+01  0.340133D+01  0.714652D+01  0.157903D+01
      3   0.349054D+01 -0.159455D+01 -0.234618D+01 -0.115398D+01 -0.189015D+00
               131           132           133           134           135 
      1  -0.700548D+00 -0.249488D+01  0.427623D+01 -0.802884D+00 -0.781933D+01
      2  -0.271291D+01 -0.256428D+01  0.308256D+01 -0.442262D+01 -0.103045D+02
      3   0.499786D+01  0.194055D+01  0.293880D+00  0.409984D+01  0.143312D+01
               136           137           138           139           140 
      1  -0.148725D+01  0.440633D-01 -0.300771D+01 -0.329895D+00 -0.131409D+01
      2  -0.272059D+01  0.356188D+00 -0.105981D+01  0.184944D+01 -0.651988D+00
      3   0.798293D+00 -0.540197D+00  0.374184D+00 -0.417091D+00 -0.835299D-01
               141           142           143           144           145 
      1   0.316617D+01 -0.361629D+00  0.368814D+01 -0.134678D+02  0.243318D+01
      2   0.267537D+01 -0.610105D+01 -0.111892D+01 -0.108210D+02  0.190245D+01
      3   0.405831D+00  0.239064D+01  0.114191D+01  0.145504D+01 -0.127548D+01
               146           147           148           149           150 
      1  -0.365807D+01  0.337842D+00 -0.252013D+01  0.107956D+02 -0.235912D+01
      2  -0.913816D+00  0.113396D+01 -0.268903D+01  0.168801D+01 -0.151978D+01
      3  -0.325424D+01 -0.881917D+00  0.447329D+01  0.462893D+01  0.555968D+00
               151           152           153           154           155 
      1   0.348867D+00 -0.132667D+01 -0.317681D+00 -0.942363D+00  0.269001D+01
      2  -0.192039D+00 -0.121234D+01 -0.892089D+00  0.634440D+00 -0.145361D+01
      3  -0.127088D+01 -0.159419D+00  0.680040D+00 -0.547662D+01  0.790575D+01
               156           157           158           159           160 
      1   0.177460D+01  0.584588D+00 -0.433627D+01 -0.508744D+01 -0.358276D+00
      2  -0.828055D-01 -0.672211D+00  0.176952D+01  0.195511D+01 -0.247734D+00
      3   0.309091D+01  0.611016D+01 -0.201114D+02 -0.334954D+01  0.391509D+01
               161           162           163           164           165 
      1  -0.235392D+01 -0.255192D+01  0.328845D+01  0.138191D+01 -0.456353D+01
      2   0.275182D+01  0.139558D+01 -0.248334D+01 -0.340268D+01  0.714308D+01
      3  -0.755894D+01 -0.349665D+01  0.159267D+01 -0.234733D+01  0.115679D+01
               166           167           168           169           170 
      1   0.123896D+01  0.701439D+00 -0.249748D+01 -0.427586D+01 -0.805863D+00
      2  -0.157945D+01 -0.271369D+01  0.256662D+01  0.308132D+01  0.442609D+01
      3  -0.189602D+00 -0.500092D+01  0.194066D+01 -0.292304D+00  0.410129D+01
               171           172           173           174           175 
      1   0.782219D+01 -0.983390D+00 -0.360322D-01 -0.290141D+00  0.144590D+00
      2  -0.103074D+02  0.239207D+01 -0.316753D+00 -0.150485D+01  0.394622D+00
      3  -0.143751D+01  0.140509D+01 -0.160925D+00  0.110280D+01 -0.206642D+00
               176           177           178           179           180 
      1   0.810766D+00 -0.716132D+00 -0.527265D-01  0.419353D+01 -0.137281D+01
      2   0.147231D+01  0.338139D+01  0.239856D+01  0.181064D+01  0.261819D+02
      3  -0.157518D+01 -0.117752D+01 -0.676508D+00 -0.377720D+01 -0.188955D+01
               181           182           183           184           185 
      1  -0.330814D+01  0.178497D+01  0.661585D+00  0.212500D+01 -0.116819D+01
      2  -0.661272D+01  0.142503D+01  0.583422D+01  0.281312D+01 -0.209634D+01
      3   0.820653D+01 -0.872516D+01  0.745995D+00 -0.327915D+01  0.426370D+01
               186           187           188           189 
      1  -0.112852D+01  0.484730D+00  0.341303D+00 -0.677673D+00
      2  -0.252607D+01  0.445103D+01 -0.116243D+01  0.352074D+00
      3   0.607451D+00 -0.958934D+00  0.272290D+01  0.619593D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.888096D+01  0.157392D+02 -0.539830D+01  0.717610D+01 -0.377234D+01
      2  -0.140927D+01 -0.187579D+02  0.127387D+02 -0.110615D+02 -0.144451D+02
      3   0.102902D+02  0.301873D+01 -0.734038D+01  0.388542D+01  0.182174D+02
      4   0.766951D+01 -0.498492D+01 -0.422382D+01 -0.826107D+01 -0.162593D+02
      5  -0.151292D+02 -0.258897D+01  0.135037D+02  0.137162D+01  0.259630D+01
      6  -0.167533D+02  0.827500D+01  0.258763D+01  0.961842D+01 -0.784971D+00
                 6             7             8             9            10 
      1   0.104730D+02  0.106622D+01  0.711869D+01  0.897564D+01  0.132520D+00
      2   0.448848D+00  0.430182D+01 -0.369796D+01  0.129022D+02 -0.163973D+01
      3  -0.109219D+02 -0.536803D+01 -0.342073D+01 -0.218779D+02  0.150721D+01
      4   0.489430D+00 -0.727473D+01 -0.460517D+01  0.843667D+01  0.389405D+01
      5   0.378102D+01  0.107204D+02  0.591141D+01 -0.394640D+01 -0.127032D+02
      6   0.818638D+01  0.539677D+01  0.888952D+01 -0.562159D+01  0.219869D+01
                11            12            13            14            15 
      1   0.475947D+00 -0.575833D+01 -0.183634D+01 -0.907456D+00 -0.656587D+01
      2   0.241876D+01  0.224708D+01  0.515147D+01 -0.119498D+01  0.260820D+01
      3  -0.289471D+01  0.351125D+01 -0.331513D+01  0.210243D+01  0.395767D+01
      4  -0.139144D+01  0.491622D+01 -0.717077D+01  0.911287D+01  0.257239D+01
      5   0.650148D+01 -0.183441D+01 -0.299621D+01  0.102258D+01 -0.315782D+01
      6  -0.208164D+01  0.149355D+01 -0.438714D+01  0.212078D+01 -0.557676D+00
                16            17            18            19            20 
      1  -0.116939D+02 -0.394735D+01 -0.363134D+00 -0.447691D+01 -0.182007D-02
      2   0.643894D+01  0.233705D+01 -0.260271D+01  0.682626D+01 -0.331175D-03
      3   0.525500D+01  0.161029D+01  0.296585D+01 -0.234936D+01  0.215124D-02
      4   0.119331D+01  0.725715D+01 -0.225776D+01 -0.414772D-02 -0.523933D+00
      5  -0.160691D+01 -0.133505D+01  0.324823D-01  0.137766D+02  0.107831D-02
      6   0.554390D+01 -0.170935D+01  0.192010D+01  0.320912D-02  0.246520D+01
                21            22            23            24            25 
      1   0.166495D+01 -0.115510D-02 -0.116544D+01  0.220945D-02 -0.556715D+01
      2  -0.372939D+01 -0.215524D-02  0.373019D+01 -0.103389D-02  0.513219D+00
      3   0.206444D+01  0.331034D-02 -0.256475D+01 -0.117557D-02  0.505393D+01
      4   0.201169D-02 -0.422996D+01  0.159222D-02  0.867585D+00  0.453142D-02
      5  -0.861628D+01  0.603311D-02  0.598014D+00  0.412501D-03 -0.164109D+02
      6  -0.336332D-03  0.798493D+01  0.634277D-03 -0.320291D+01  0.152253D-02
                26            27            28            29            30 
      1  -0.377730D-03 -0.283857D+01 -0.759372D+01 -0.193666D+02  0.173258D+02
      2   0.108247D-02  0.168499D+01 -0.118695D+01  0.889401D+01 -0.101877D+02
      3  -0.704740D-03  0.115359D+01  0.878067D+01  0.104726D+02 -0.713803D+01
      4   0.112338D+01 -0.394071D-03 -0.253180D+02 -0.152789D+01 -0.407680D+01
      5  -0.753443D-03  0.584435D+01  0.235566D+02 -0.474337D+01  0.149332D+02
      6  -0.214988D+01 -0.210176D-02 -0.589710D+01  0.625745D+00 -0.325010D+01
                31            32            33            34            35 
      1  -0.301605D+02  0.715328D+01 -0.273555D+00  0.291663D+02  0.329112D+01
      2   0.137474D+02 -0.746568D+01 -0.363683D+01 -0.133617D+02 -0.544754D+01
      3   0.164131D+02  0.312408D+00  0.391038D+01 -0.158045D+02  0.215642D+01
      4   0.832227D+01  0.141358D+02  0.166018D+02  0.301385D+01  0.117436D+02
      5  -0.511529D+01  0.187525D+02  0.117432D+02  0.105277D+02  0.745123D+01
      6  -0.142005D+00  0.259887D+01  0.174321D+01 -0.231449D+01  0.181819D+01
                36            37            38            39            40 
      1   0.186728D+02 -0.231900D+00 -0.662937D+01 -0.711981D+01 -0.436158D+01
      2   0.124756D+01  0.810438D+01 -0.778281D+01  0.538711D+01 -0.767800D+01
      3  -0.199204D+02 -0.787248D+01  0.144122D+02  0.173270D+01  0.120396D+02
      4   0.623909D+01 -0.119121D+02  0.137074D+02 -0.134247D+02  0.169596D+02
      5  -0.123086D+02  0.554996D+01 -0.155680D+02 -0.171402D+02 -0.665065D+01
      6   0.352661D+01  0.153566D+00  0.860499D+01  0.949005D+01  0.522247D+01
                41            42            43            44            45 
      1   0.109751D+02 -0.109118D+02 -0.490516D+00 -0.211958D+02 -0.132354D+02
      2  -0.280539D+01  0.125658D+02  0.220993D+01  0.179236D+02  0.959455D+01
      3  -0.816971D+01 -0.165400D+01 -0.171941D+01  0.327223D+01  0.364087D+01
      4  -0.219321D+02 -0.405647D+01 -0.182166D+02 -0.298124D+01  0.475031D+01
      5  -0.785650D+01 -0.410850D+00 -0.151839D+02  0.178904D+01  0.637788D+01
      6   0.645220D+01 -0.121960D+01  0.115767D+02 -0.361676D+01 -0.286382D+01
                46            47            48            49            50 
      1  -0.888201D+01 -0.157348D+02 -0.539315D+01 -0.717895D+01 -0.376643D+01
      2  -0.141692D+01  0.187515D+02  0.127466D+02  0.110568D+02 -0.144441D+02
      3   0.102989D+02 -0.301669D+01 -0.735347D+01 -0.387780D+01  0.182105D+02
      4  -0.765631D+01 -0.498767D+01  0.421757D+01 -0.826391D+01  0.162592D+02
      5  -0.151262D+02  0.258242D+01  0.135049D+02 -0.138156D+01  0.260510D+01
      6   0.167453D+02  0.827933D+01 -0.258450D+01  0.962519D+01  0.770153D+00
                51            52            53            54            55 
      1  -0.104727D+02  0.107478D+01 -0.711806D+01  0.897230D+01  0.115594D+00
      2  -0.456624D+00  0.430921D+01  0.368572D+01  0.128941D+02 -0.163132D+01
      3   0.109293D+02 -0.538399D+01  0.343234D+01 -0.218664D+02  0.151573D+01
      4   0.499143D+00  0.726906D+01 -0.459610D+01 -0.843829D+01 -0.389762D+01
      5  -0.377506D+01  0.107234D+02 -0.591061D+01 -0.396123D+01 -0.127066D+02
      6   0.817878D+01 -0.539774D+01  0.888443D+01  0.563479D+01 -0.219834D+01
                56            57            58            59            60 
      1  -0.477909D+00 -0.575838D+01  0.184021D+01 -0.912332D+00  0.656407D+01
      2  -0.241657D+01  0.224854D+01 -0.515177D+01 -0.119216D+01 -0.260780D+01
      3   0.289448D+01  0.350984D+01  0.331156D+01  0.210449D+01 -0.395627D+01
      4  -0.138805D+01 -0.491572D+01 -0.717364D+01 -0.911916D+01  0.256817D+01
      5  -0.649938D+01 -0.183635D+01  0.299934D+01  0.102007D+01  0.315732D+01
      6  -0.208207D+01 -0.149358D+01 -0.438497D+01 -0.211729D+01 -0.556096D+00
                61            62            63            64            65 
      1  -0.116972D+02  0.394915D+01 -0.355255D+00 -0.227111D+00  0.665434D+01
      2   0.644101D+01 -0.233873D+01 -0.260630D+01  0.810713D+01  0.775660D+01
      3   0.525619D+01 -0.161042D+01  0.296156D+01 -0.788001D+01 -0.144109D+02
      4  -0.119243D+01  0.725418D+01  0.226471D+01  0.119272D+02  0.137012D+02
      5  -0.159722D+01  0.134185D+01  0.382431D-01  0.554077D+01  0.155742D+02
      6  -0.554200D+01 -0.170744D+01 -0.192144D+01 -0.155459D+00  0.861318D+01
                66            67            68            69            70 
      1  -0.712637D+01  0.437748D+01  0.109627D+02  0.109209D+02 -0.498915D+00
      2   0.540011D+01  0.766053D+01 -0.279202D+01 -0.125747D+02  0.222121D+01
      3   0.172626D+01 -0.120380D+02 -0.817064D+01  0.165376D+01 -0.172229D+01
      4   0.134304D+02  0.169527D+02  0.219304D+02 -0.405468D+01  0.182176D+02
      5  -0.171260D+02  0.665604D+01 -0.785589D+01  0.400610D+00 -0.151723D+02
      6  -0.948392D+01  0.522943D+01 -0.645787D+01 -0.123255D+01 -0.115727D+02
                71            72            73            74            75 
      1   0.212028D+02 -0.132111D+02 -0.755549D+01  0.193655D+02  0.173505D+02
      2  -0.179336D+02  0.957535D+01 -0.120784D+01 -0.889158D+01 -0.101946D+02
      3  -0.326923D+01  0.363574D+01  0.876333D+01 -0.104739D+02 -0.715592D+01
      4  -0.298275D+01 -0.476408D+01  0.253139D+02 -0.153322D+01  0.406242D+01
      5  -0.180572D+01  0.639197D+01  0.235839D+02  0.472796D+01  0.149192D+02
      6  -0.363316D+01  0.287298D+01  0.588967D+01  0.624530D+00  0.324438D+01
                76            77            78            79            80 
      1   0.301541D+02  0.715584D+01  0.257802D+00  0.291930D+02 -0.330737D+01
      2  -0.137413D+02 -0.746594D+01  0.363898D+01 -0.133673D+02  0.544870D+01
      3  -0.164128D+02  0.310103D+00 -0.389678D+01 -0.158257D+02 -0.214134D+01
      4   0.832142D+01 -0.141535D+02  0.166024D+02 -0.302763D+01  0.117444D+02
      5   0.509659D+01  0.187532D+02 -0.117309D+02  0.105001D+02 -0.744028D+01
      6  -0.142208D+00 -0.260297D+01  0.174565D+01  0.231024D+01  0.181977D+01
                81            82            83            84            85 
      1   0.186477D+02  0.346010D+01 -0.384635D+01  0.190851D+01 -0.241675D+01
      2   0.126732D+01  0.431678D+01  0.111283D+02 -0.294239D+01  0.104818D+02
      3  -0.199150D+02 -0.777689D+01 -0.728191D+01  0.103387D+01 -0.806503D+01
      4  -0.622806D+01  0.100753D+02  0.175976D+02 -0.331220D+01  0.164177D+02
      5  -0.123432D+02 -0.234595D+01 -0.477816D+01  0.363910D+01 -0.568680D+01
      6  -0.351962D+01 -0.237523D+01 -0.740882D+01  0.361713D+01 -0.800473D+01
                86            87            88            89            90 
      1  -0.232348D+02  0.680133D+01  0.252516D+01  0.592964D+00 -0.549827D+01
      2   0.447980D+02 -0.678046D+01 -0.726854D+00  0.388254D+01  0.180937D+01
      3  -0.215631D+02 -0.208741D-01 -0.179830D+01 -0.447551D+01  0.368890D+01
      4   0.308835D+02 -0.748488D+01  0.180376D+01  0.124071D+01  0.329339D+01
      5  -0.850690D+01  0.519079D+01  0.146980D+01  0.294356D+01 -0.197410D+01
      6  -0.213477D+02  0.116129D+02  0.161845D+01  0.643809D+01 -0.351965D+01
                91            92            93            94            95 
      1  -0.312415D+00 -0.120962D+00 -0.500627D+01 -0.269868D+01 -0.383727D+01
      2  -0.243704D+01  0.109036D+01 -0.339289D+01  0.219038D+01  0.184534D+01
      3   0.274945D+01 -0.969398D+00  0.839916D+01  0.508294D+00  0.199193D+01
      4  -0.102611D+01  0.206851D+01 -0.134521D+01  0.256924D+01  0.193795D+01
      5   0.201913D+01 -0.266606D+00  0.465101D+01  0.167119D+01 -0.187360D+01
      6   0.488280D+00  0.263223D+00 -0.340335D+01 -0.140519D+01 -0.792178D+00
                96            97            98            99           100 
      1  -0.418861D+01 -0.261711D+01  0.564723D+01 -0.319188D+02  0.623587D+01
      2  -0.635390D+01  0.353429D-01 -0.228253D+01 -0.214474D+02 -0.541550D+01
      3   0.105425D+02  0.258177D+01 -0.336470D+01  0.533662D+02 -0.820372D+00
      4  -0.184794D+01 -0.171688D+01 -0.291257D+01  0.817211D+00  0.290798D+01
      5  -0.227143D+01  0.574363D+01  0.136565D+01 -0.105066D+02  0.367845D+01
      6   0.488764D+01 -0.442882D+00  0.884146D+01 -0.163928D+02 -0.182031D+00
               101           102           103           104           105 
      1   0.215355D+01  0.630069D+01  0.395509D+01 -0.261517D+01  0.267054D+01
      2  -0.107790D+01 -0.194786D+01 -0.181806D+01  0.507267D+00  0.790595D+00
      3  -0.107565D+01 -0.435282D+01 -0.213703D+01  0.210790D+01 -0.346113D+01
      4   0.531341D+00  0.479715D+00  0.311631D+01 -0.284436D+01  0.236200D+01
      5   0.121310D+01  0.317908D+01  0.546770D+00  0.219632D+01 -0.490614D+01
      6  -0.806082D+00  0.436063D+00  0.134955D+01 -0.195614D+01  0.644506D+01
               106           107           108           109           110 
      1   0.681118D+01  0.149574D+01 -0.119671D+02  0.774553D+02  0.195233D+02
      2  -0.109710D+02  0.518959D+00 -0.219198D+02 -0.379024D+02 -0.906898D+01
      3   0.415977D+01 -0.201470D+01  0.338869D+02 -0.395529D+02 -0.104543D+02
      4  -0.124786D+01  0.611097D+01 -0.270169D+01  0.232038D+02  0.154140D+02
      5   0.193087D+02 -0.332008D+01  0.466192D+02  0.681967D+01  0.247931D+01
      6  -0.186817D+01  0.587985D+01 -0.686252D+01  0.280345D+01  0.164343D+01
               111           112           113           114           115 
      1   0.209501D+01  0.323623D+02  0.113692D+02  0.125288D+01 -0.143755D+02
      2  -0.241546D+01 -0.144127D+02 -0.238803D+01 -0.153236D+01  0.578398D+01
      3   0.320457D+00 -0.179496D+02 -0.898119D+01  0.279485D+00  0.859153D+01
      4   0.164766D+01  0.173601D+02  0.111279D+02 -0.855753D+00 -0.340032D+01
      5   0.101861D+02  0.406318D+01 -0.947080D+00  0.428419D+01  0.108608D+02
      6   0.682816D+00  0.175266D+01  0.989810D+00  0.174296D+01  0.348229D+00
               116           117           118           119           120 
      1  -0.270225D+01  0.588308D+01 -0.332906D+01 -0.981443D+01  0.234301D+01
      2   0.113235D+01 -0.537674D+01  0.373439D+01  0.143213D+02 -0.270531D+01
      3   0.156991D+01 -0.506344D+00 -0.405334D+00 -0.450684D+01  0.362299D+00
      4  -0.512160D+01  0.213120D+01  0.274457D+01 -0.314853D+01  0.201343D+01
      5   0.214161D+01  0.164234D+01 -0.371997D+00  0.326287D+01  0.383522D+00
      6   0.167898D+01 -0.840475D+00 -0.143935D+01 -0.308646D+01  0.181499D+01
               121           122           123           124           125 
      1  -0.592913D+01 -0.252811D+02  0.487580D+01  0.384089D+01  0.108332D+02
      2   0.492317D+01  0.395743D+02 -0.647282D+01 -0.285883D+01 -0.129623D+02
      3   0.100597D+01 -0.142933D+02  0.159702D+01 -0.982059D+00  0.212915D+01
      4   0.432151D+01 -0.197332D+02  0.153969D+01  0.113730D+01  0.507346D+01
      5   0.197076D+01  0.287444D+01 -0.507633D+01  0.369728D+01 -0.468956D+01
      6  -0.151233D+01 -0.620300D+01  0.721314D+01 -0.662904D+00  0.881035D+01
               126           127           128           129           130 
      1  -0.399039D+01  0.164288D+02 -0.410696D+01 -0.641753D+01 -0.171015D+00
      2   0.390502D+01 -0.101386D+02  0.143493D+01  0.452856D+01 -0.144948D+01
      3   0.853635D-01 -0.629020D+01  0.267203D+01  0.188897D+01  0.162049D+01
      4  -0.374732D+01 -0.138224D+02  0.114532D+02  0.118447D+02  0.932902D+01
      5   0.202919D+01 -0.171337D+02  0.107594D+02  0.195534D+02  0.610078D+01
      6  -0.445622D+01  0.826454D+01 -0.726277D+01 -0.919682D+01 -0.565660D+01
               131           132           133           134           135 
      1  -0.223991D+01  0.774153D+00 -0.120042D+02  0.275260D+01  0.369463D+01
      2   0.565482D+01  0.127785D+01  0.833652D+01 -0.183560D+00 -0.101148D+02
      3  -0.341491D+01 -0.205200D+01  0.366768D+01 -0.256904D+01  0.642017D+01
      4  -0.128090D+02 -0.892513D+01  0.178762D+02 -0.163676D+02 -0.165452D+02
      5  -0.855866D+01 -0.654876D+01  0.235121D+02 -0.154104D+02 -0.300571D+02
      6   0.679703D+01  0.829405D+01 -0.126573D+02  0.135027D+02  0.180133D+02
               136           137           138           139           140 
      1  -0.313446D+00  0.120363D+00 -0.501102D+01  0.270003D+01 -0.383763D+01
      2  -0.243709D+01 -0.108871D+01 -0.339820D+01 -0.218885D+01  0.184377D+01
      3   0.275054D+01  0.968345D+00  0.840922D+01 -0.511182D+00  0.199387D+01
      4   0.102639D+01  0.206706D+01  0.134448D+01  0.256929D+01 -0.193650D+01
      5   0.202268D+01  0.266114D+00  0.465018D+01 -0.167112D+01 -0.187316D+01
      6  -0.488520D+00  0.264133D+00  0.340415D+01 -0.140501D+01  0.789671D+00
               141           142           143           144           145 
      1   0.419305D+01 -0.262119D+01 -0.564115D+01 -0.319175D+02  0.346049D+01
      2   0.635480D+01  0.306905D-01  0.228402D+01 -0.214469D+02  0.431554D+01
      3  -0.105478D+02  0.259050D+01  0.335713D+01  0.533644D+02 -0.777603D+01
      4  -0.184798D+01  0.171541D+01 -0.291068D+01 -0.813685D+00 -0.100763D+02
      5   0.227063D+01  0.574098D+01 -0.136311D+01 -0.104942D+02 -0.234947D+01
      6   0.488852D+01  0.445899D+00  0.883744D+01  0.163762D+02  0.237888D+01
               146           147           148           149           150 
      1   0.384725D+01  0.190903D+01  0.241641D+01 -0.232312D+02 -0.680560D+01
      2  -0.111257D+02 -0.294347D+01 -0.104769D+02  0.447806D+02  0.678494D+01
      3   0.727840D+01  0.103444D+01  0.806046D+01 -0.215494D+02  0.206527D-01
      4   0.175960D+02  0.331617D+01  0.164144D+02 -0.308738D+02 -0.748939D+01
      5   0.478188D+01  0.364101D+01  0.568988D+01 -0.851164D+01 -0.519380D+01
      6  -0.741280D+01 -0.361994D+01 -0.800879D+01  0.213573D+02  0.116182D+02
               151           152           153           154           155 
      1   0.252427D+01 -0.598166D+00 -0.550015D+01 -0.332444D+01  0.980272D+01
      2  -0.728732D+00 -0.387314D+01  0.180879D+01  0.372883D+01 -0.143045D+02
      3  -0.179553D+01  0.447131D+01  0.369136D+01 -0.404387D+00  0.450176D+01
      4  -0.180002D+01  0.123330D+01 -0.329387D+01 -0.274363D+01 -0.314372D+01
      5   0.147016D+01 -0.294450D+01 -0.197598D+01 -0.371850D+00 -0.326368D+01
      6  -0.161949D+01  0.644054D+01  0.352353D+01  0.144187D+01 -0.309257D+01
               156           157           158           159           160 
      1   0.234790D+01  0.592243D+01 -0.252725D+02 -0.488614D+01  0.384502D+01
      2  -0.270952D+01 -0.491364D+01  0.395629D+02  0.648560D+01 -0.286056D+01
      3   0.361619D+00 -0.100879D+01 -0.142904D+02 -0.159946D+01 -0.984460D+00
      4  -0.201378D+01  0.432575D+01  0.197408D+02  0.154857D+01 -0.113345D+01
      5   0.382639D+00 -0.196932D+01  0.288317D+01  0.507975D+01  0.369624D+01
      6  -0.181589D+01 -0.151288D+01  0.622291D+01  0.721913D+01  0.662536D+00
               161           162           163           164           165 
      1  -0.108454D+02 -0.399890D+01  0.164111D+02  0.410181D+01 -0.640978D+01
      2   0.129781D+02  0.391185D+01 -0.101264D+02 -0.142951D+01  0.451877D+01
      3  -0.213265D+01  0.870481D-01 -0.628477D+01 -0.267229D+01  0.189101D+01
      4   0.508738D+01  0.375366D+01  0.138141D+02  0.114531D+02 -0.118431D+02
      5   0.469658D+01  0.203654D+01 -0.171186D+02 -0.107585D+02  0.195411D+02
      6   0.882080D+01  0.446698D+01 -0.826091D+01 -0.726259D+01  0.919289D+01
               166           167           168           169           170 
      1   0.170994D+00 -0.224280D+01 -0.773742D+00 -0.119970D+02 -0.274857D+01
      2   0.145153D+01  0.566042D+01 -0.127859D+01  0.832666D+01  0.179068D+00
      3  -0.162252D+01 -0.341762D+01  0.205233D+01  0.367032D+01  0.256951D+01
      4   0.933244D+01  0.128186D+02 -0.892767D+01 -0.178762D+02 -0.163735D+02
      5  -0.610318D+01 -0.856091D+01  0.655391D+01  0.235018D+02  0.154159D+02
      6  -0.565846D+01 -0.680174D+01  0.829909D+01  0.126565D+02  0.135102D+02
               171           172           173           174           175 
      1   0.368326D+01  0.624246D+01 -0.215769D+01  0.629682D+01 -0.395831D+01
      2  -0.101034D+02 -0.542079D+01  0.107971D+01 -0.195338D+01  0.182050D+01
      3   0.642011D+01 -0.821671D+00  0.107798D+01 -0.434345D+01  0.213781D+01
      4   0.165493D+02 -0.290976D+01  0.534615D+00 -0.479569D+00  0.311807D+01
      5  -0.300550D+02  0.368376D+01 -0.121251D+01  0.319229D+01 -0.548991D+00
      6  -0.180202D+02  0.180934D+00 -0.804189D+00 -0.433092D+00  0.135047D+01
               176           177           178           179           180 
      1  -0.261149D+01 -0.266388D+01  0.681407D+01 -0.148946D+01 -0.119485D+02
      2   0.505223D+00 -0.788807D+00 -0.109809D+02 -0.516233D+00 -0.219316D+02
      3   0.210627D+01  0.345268D+01  0.416679D+01  0.200569D+01  0.338801D+02
      4   0.284157D+01  0.236208D+01  0.124441D+01  0.611211D+01  0.268992D+01
      5   0.219660D+01  0.489403D+01  0.193286D+02  0.330822D+01  0.466395D+02
      6   0.195097D+01  0.644142D+01  0.186513D+01  0.587699D+01  0.684520D+01
               181           182           183           184           185 
      1   0.774448D+02 -0.195275D+02  0.207190D+01 -0.323625D+02  0.113708D+02
      2  -0.378933D+02  0.906930D+01 -0.240286D+01  0.144104D+02 -0.238754D+01
      3  -0.395515D+02  0.104582D+02  0.330963D+00  0.179521D+02 -0.898329D+01
      4  -0.232107D+02  0.154169D+02 -0.163978D+01  0.173643D+02 -0.111296D+02
      5   0.678652D+01 -0.247059D+01  0.101827D+02 -0.404909D+01 -0.954011D+00
      6  -0.279817D+01  0.164121D+01 -0.682099D+00  0.174854D+01 -0.986397D+00
               186           187           188           189 
      1  -0.124403D+01 -0.144057D+02  0.271048D+01  0.588693D+01
      2   0.152844D+01  0.579969D+01 -0.113564D+01 -0.537829D+01
      3  -0.284414D+00  0.860597D+01 -0.157484D+01 -0.508635D+00
      4  -0.861992D+00  0.341068D+01 -0.512939D+01 -0.213510D+01
      5  -0.428474D+01  0.108643D+02 -0.214535D+01  0.163195D+01
      6   0.174282D+01 -0.348569D+00  0.167877D+01  0.840865D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Jul  8 22:04:44 2021, MaxMem= 10737418240 cpu:           20928.8 elap:            1309.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -10.30763 -10.30727 -10.30710 -10.29494 -10.29493
 Alpha  occ. eigenvalues --  -10.29492 -10.29491 -10.29471 -10.29471  -1.00554
 Alpha  occ. eigenvalues --   -0.96490  -0.90995  -0.86012  -0.69946  -0.69754
 Alpha  occ. eigenvalues --   -0.67299  -0.65329  -0.60849  -0.58794  -0.56261
 Alpha  occ. eigenvalues --   -0.55990  -0.53472  -0.52990  -0.46275  -0.44735
 Alpha  occ. eigenvalues --   -0.44643  -0.42558  -0.40339  -0.38407  -0.38049
 Alpha  occ. eigenvalues --   -0.34275  -0.33824  -0.33594
 Alpha virt. eigenvalues --    0.03947   0.04335   0.04704   0.04771   0.06010
 Alpha virt. eigenvalues --    0.06405   0.06407   0.06740   0.07368   0.08632
 Alpha virt. eigenvalues --    0.09013   0.09116   0.11248   0.11512   0.11517
 Alpha virt. eigenvalues --    0.12394   0.13083   0.13307   0.13896   0.14497
 Alpha virt. eigenvalues --    0.15137   0.15460   0.15484   0.15841   0.16018
 Alpha virt. eigenvalues --    0.16449   0.16471   0.17715   0.17759   0.17872
 Alpha virt. eigenvalues --    0.18394   0.18928   0.19659   0.20335   0.20629
 Alpha virt. eigenvalues --    0.21600   0.21703   0.21952   0.23007   0.23021
 Alpha virt. eigenvalues --    0.23475   0.23586   0.24292   0.24794   0.24964
 Alpha virt. eigenvalues --    0.26230   0.26242   0.27131   0.27242   0.29225
 Alpha virt. eigenvalues --    0.30480   0.30569   0.31176   0.31275   0.32190
 Alpha virt. eigenvalues --    0.32724   0.33765   0.34762   0.34834   0.35373
 Alpha virt. eigenvalues --    0.35800   0.36050   0.36517   0.38604   0.38860
 Alpha virt. eigenvalues --    0.39463   0.40041   0.40551   0.40560   0.42043
 Alpha virt. eigenvalues --    0.42180   0.42687   0.42768   0.43017   0.44239
 Alpha virt. eigenvalues --    0.44373   0.44641   0.46037   0.46457   0.46732
 Alpha virt. eigenvalues --    0.47755   0.49818   0.50079   0.50230   0.51897
 Alpha virt. eigenvalues --    0.52285   0.52759   0.53553   0.53703   0.54655
 Alpha virt. eigenvalues --    0.54719   0.55128   0.55315   0.56240   0.56746
 Alpha virt. eigenvalues --    0.57152   0.57536   0.58064   0.58386   0.59405
 Alpha virt. eigenvalues --    0.59512   0.60168   0.61976   0.62000   0.62614
 Alpha virt. eigenvalues --    0.63735   0.64079   0.64434   0.65346   0.66071
 Alpha virt. eigenvalues --    0.66233   0.67665   0.68410   0.69771   0.70152
 Alpha virt. eigenvalues --    0.70297   0.71213   0.71636   0.72373   0.72896
 Alpha virt. eigenvalues --    0.73167   0.73768   0.74352   0.75240   0.75889
 Alpha virt. eigenvalues --    0.76146   0.76326   0.77121   0.77618   0.78532
 Alpha virt. eigenvalues --    0.78540   0.79381   0.81079   0.81191   0.81434
 Alpha virt. eigenvalues --    0.81489   0.82302   0.83484   0.84057   0.86699
 Alpha virt. eigenvalues --    0.87124   0.89667   0.89695   0.91930   0.94310
 Alpha virt. eigenvalues --    0.95492   0.96357   0.97944   1.00321   1.01665
 Alpha virt. eigenvalues --    1.01872   1.02764   1.04368   1.04976   1.08087
 Alpha virt. eigenvalues --    1.08474   1.08943   1.08992   1.09764   1.10442
 Alpha virt. eigenvalues --    1.11917   1.13298   1.14837   1.16021   1.17681
 Alpha virt. eigenvalues --    1.18388   1.18944   1.21542   1.22038   1.23022
 Alpha virt. eigenvalues --    1.24388   1.28047   1.28820   1.30753   1.34431
 Alpha virt. eigenvalues --    1.35867   1.39255   1.39352   1.43268   1.45252
 Alpha virt. eigenvalues --    1.45990   1.50457   1.52917   1.54089   1.54351
 Alpha virt. eigenvalues --    1.56420   1.57290   1.58042   1.58906   1.62116
 Alpha virt. eigenvalues --    1.62556   1.64102   1.64675   1.66873   1.68748
 Alpha virt. eigenvalues --    1.68813   1.70017   1.71687   1.72019   1.77503
 Alpha virt. eigenvalues --    1.79387   1.80070   1.80639   1.82210   1.82995
 Alpha virt. eigenvalues --    1.84238   1.84921   1.87320   1.87594   1.88518
 Alpha virt. eigenvalues --    1.90064   1.90926   1.91280   1.93937   1.96083
 Alpha virt. eigenvalues --    1.97060   1.97143   2.00000   2.00562   2.01946
 Alpha virt. eigenvalues --    2.03464   2.04873   2.04923   2.07078   2.07769
 Alpha virt. eigenvalues --    2.08506   2.08724   2.10771   2.12924   2.13460
 Alpha virt. eigenvalues --    2.14244   2.16549   2.16832   2.19527   2.21329
 Alpha virt. eigenvalues --    2.22006   2.25258   2.26291   2.28420   2.29952
 Alpha virt. eigenvalues --    2.30762   2.31639   2.33903   2.35212   2.39353
 Alpha virt. eigenvalues --    2.40658   2.42991   2.43929   2.47390   2.47654
 Alpha virt. eigenvalues --    2.50762   2.52664   2.53071   2.53366   2.58467
 Alpha virt. eigenvalues --    2.60050   2.60209   2.61325   2.61615   2.64322
 Alpha virt. eigenvalues --    2.64530   2.71929   2.72508   2.75036   2.76109
 Alpha virt. eigenvalues --    2.79017   2.82777   2.91910   2.93309   2.93610
 Alpha virt. eigenvalues --    3.01214   3.02333   3.03083   3.07796   3.09632
 Alpha virt. eigenvalues --    3.12763   3.22209   3.52556   3.55101   3.89210
 Alpha virt. eigenvalues --    4.11670   4.12247
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    8.409452   0.285889   0.587897  -0.808038  -0.514634  -0.436147
     2  C    0.285889  10.864629  -2.322585   0.084908   0.335536  -1.473922
     3  C    0.587897  -2.322585  12.713196  -1.206115  -1.172853   0.587635
     4  C   -0.808038   0.084908  -1.206115   7.068322   0.637476  -0.446816
     5  C   -0.514634   0.335536  -1.172853   0.637476   6.936549  -0.045748
     6  C   -0.436147  -1.473922   0.587635  -0.446816  -0.045748   8.408649
     7  C   -1.474689  -1.618300  -2.324509   0.103152  -0.486962   0.286345
     8  C   -0.045729  -0.486852  -1.173271  -0.058400  -0.121775  -0.514722
     9  C   -0.446706   0.103328  -1.206558   0.104406  -0.058342  -0.808010
    10  H   -0.232446  -0.013565   0.010218  -0.120346   0.122187  -0.101140
    11  H   -0.048406  -0.044812   0.062909   0.104366  -0.153677   0.097410
    12  H    0.088171  -0.140052  -0.046949  -0.038796   0.037429  -0.028342
    13  H   -0.099614   0.011396   0.296721  -0.274078  -0.063063   0.043643
    14  H    0.055586  -0.130472  -0.001625   0.022956  -0.068931   0.022223
    15  H   -0.072162  -0.027746   0.277432  -0.031872  -0.265703   0.005002
    16  H    0.097445  -0.079736   0.062687   0.002405  -0.012977  -0.048284
    17  H   -0.101098   0.233993   0.010401   0.015572   0.007306  -0.232447
    18  H    0.022281  -0.008140  -0.001335   0.012502  -0.014070   0.055624
    19  H    0.004994   0.047683   0.277484  -0.008409   0.025821  -0.072228
    20  H   -0.028299   0.027308  -0.046749  -0.004755   0.023496   0.088240
    21  H    0.043624   0.015902   0.296761   0.004876   0.004029  -0.099710
               7          8          9         10         11         12
     1  C   -1.474689  -0.045729  -0.446706  -0.232446  -0.048406   0.088171
     2  C   -1.618300  -0.486852   0.103328  -0.013565  -0.044812  -0.140052
     3  C   -2.324509  -1.173271  -1.206558   0.010218   0.062909  -0.046949
     4  C    0.103152  -0.058400   0.104406  -0.120346   0.104366  -0.038796
     5  C   -0.486962  -0.121775  -0.058342   0.122187  -0.153677   0.037429
     6  C    0.286345  -0.514722  -0.808010  -0.101140   0.097410  -0.028342
     7  C   10.866254   0.336198   0.085248   0.234008  -0.079667   0.027357
     8  C    0.336198   6.936662   0.637252   0.007305  -0.012971   0.023504
     9  C    0.085248   0.637252   7.068389   0.015577   0.002405  -0.004741
    10  H    0.234008   0.007305   0.015577   1.917358  -0.424426   0.016502
    11  H   -0.079667  -0.012971   0.002405  -0.424426   1.938187  -0.000099
    12  H    0.027357   0.023504  -0.004741   0.016502  -0.000099   1.978856
    13  H    0.015904   0.004030   0.004868  -0.014359   0.016102  -0.406819
    14  H   -0.008087  -0.014090   0.012509   0.000128   0.009873  -0.096416
    15  H    0.047655   0.025817  -0.008403   0.017545  -0.014291   0.095301
    16  H   -0.044815  -0.153679   0.104386   0.007496   0.001712  -0.025281
    17  H   -0.013754   0.122224  -0.120429  -0.001629   0.007495   0.014336
    18  H   -0.130520  -0.069224   0.022809  -0.002326   0.012139   0.004971
    19  H   -0.027866  -0.265630  -0.031814   0.002789  -0.004386   0.001393
    20  H   -0.139989   0.037299  -0.038978   0.014323  -0.025234  -0.000989
    21  H    0.011226  -0.063042  -0.273875   0.001316   0.013283   0.000329
              13         14         15         16         17         18
     1  C   -0.099614   0.055586  -0.072162   0.097445  -0.101098   0.022281
     2  C    0.011396  -0.130472  -0.027746  -0.079736   0.233993  -0.008140
     3  C    0.296721  -0.001625   0.277432   0.062687   0.010401  -0.001335
     4  C   -0.274078   0.022956  -0.031872   0.002405   0.015572   0.012502
     5  C   -0.063063  -0.068931  -0.265703  -0.012977   0.007306  -0.014070
     6  C    0.043643   0.022223   0.005002  -0.048284  -0.232447   0.055624
     7  C    0.015904  -0.008087   0.047655  -0.044815  -0.013754  -0.130520
     8  C    0.004030  -0.014090   0.025817  -0.153679   0.122224  -0.069224
     9  C    0.004868   0.012509  -0.008403   0.104386  -0.120429   0.022809
    10  H   -0.014359   0.000128   0.017545   0.007496  -0.001629  -0.002326
    11  H    0.016102   0.009873  -0.014291   0.001712   0.007495   0.012139
    12  H   -0.406819  -0.096416   0.095301  -0.025281   0.014336   0.004971
    13  H    1.905025   0.090160  -0.069080   0.013301   0.001314   0.001205
    14  H    0.090160   2.033850  -0.414969   0.012143  -0.002330  -0.022299
    15  H   -0.069080  -0.414969   1.909738  -0.004393   0.002792   0.009687
    16  H    0.013301   0.012143  -0.004393   1.938595  -0.424593   0.009873
    17  H    0.001314  -0.002330   0.002792  -0.424593   1.917517   0.000126
    18  H    0.001205  -0.022299   0.009687   0.009873   0.000126   2.034047
    19  H   -0.000187   0.009693   0.003090  -0.014282   0.017549  -0.414953
    20  H    0.000327   0.004975   0.001391  -0.000082   0.016498  -0.096439
    21  H    0.000022   0.001207  -0.000187   0.016098  -0.014381   0.090170
              19         20         21
     1  C    0.004994  -0.028299   0.043624
     2  C    0.047683   0.027308   0.015902
     3  C    0.277484  -0.046749   0.296761
     4  C   -0.008409  -0.004755   0.004876
     5  C    0.025821   0.023496   0.004029
     6  C   -0.072228   0.088240  -0.099710
     7  C   -0.027866  -0.139989   0.011226
     8  C   -0.265630   0.037299  -0.063042
     9  C   -0.031814  -0.038978  -0.273875
    10  H    0.002789   0.014323   0.001316
    11  H   -0.004386  -0.025234   0.013283
    12  H    0.001393  -0.000989   0.000329
    13  H   -0.000187   0.000327   0.000022
    14  H    0.009693   0.004975   0.001207
    15  H    0.003090   0.001391  -0.000187
    16  H   -0.014282  -0.000082   0.016098
    17  H    0.017549   0.016498  -0.014381
    18  H   -0.414953  -0.096439   0.090170
    19  H    1.909656   0.095277  -0.069018
    20  H    0.095277   1.978821  -0.406736
    21  H   -0.069018  -0.406736   1.904858
 Mulliken charges:
               1
     1  C    0.712630
     2  C    0.335609
     3  C    0.319207
     4  C    0.836685
     5  C    0.848903
     6  C    0.712745
     7  C    0.335813
     8  C    0.849093
     9  C    0.836679
    10  H   -0.456514
    11  H   -0.457910
    12  H   -0.499663
    13  H   -0.476821
    14  H   -0.516084
    15  H   -0.486645
    16  H   -0.458021
    17  H   -0.456462
    18  H   -0.516130
    19  H   -0.486657
    20  H   -0.499704
    21  H   -0.476753
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.201795
     2  C    0.335609
     3  C    0.319207
     4  C   -0.139799
     5  C   -0.153826
     6  C   -0.201738
     7  C    0.335813
     8  C   -0.153693
     9  C   -0.139778
 Electronic spatial extent (au):  <R**2>=           1250.4356
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.0001    Y=             -0.0091    Z=             -0.0000  Tot=              0.0091
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -55.1495   YY=            -54.7299   ZZ=            -53.5386
   XY=              0.0006   XZ=             -0.9127   YZ=              0.0003
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.6769   YY=             -0.2572   ZZ=              0.9341
   XY=              0.0006   XZ=             -0.9127   YZ=              0.0003
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              0.0020  YYY=              0.9304  ZZZ=             -0.0009  XYY=             -0.0016
  XXY=              5.7440  XXZ=             -0.0002  XZZ=             -0.0005  YZZ=             -1.5326
  YYZ=             -0.0005  XYZ=              0.9336
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1123.8341 YYYY=           -345.1854 ZZZZ=           -243.9844 XXXY=             -0.0007
 XXXZ=            -15.3330 YYYX=              0.0081 YYYZ=              0.0051 ZZZX=              3.0059
 ZZZY=             -0.0040 XXYY=           -256.6203 XXZZ=           -228.5861 YYZZ=           -105.3011
 XXYZ=              0.0037 YYXZ=             -7.0116 ZZXY=              0.0002
 N-N= 4.312844331051D+02 E-N=-1.672598842154D+03  KE= 3.477871168020D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Jul  8 22:04:45 2021, MaxMem= 10737418240 cpu:               4.8 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-2.25009523D-05 6.53947604D-04-1.57065588D-05
 Polarizability= 1.16205500D+02-2.55729108D-04 9.47190803D+01
                 1.21316547D+00 2.46043601D-04 9.01063663D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.8297   -0.8307       -0.0002   -0.0002
 2      0.8297    0.8307       -0.0000   -0.0000      -11.3928  -11.3917
 3      0.0002    0.0002       14.1029   14.1023        0.0001    0.0000
 4      0.0000    0.0000        0.0000    0.0000        0.0002    0.0002
 5     -2.7102   -2.7107       -0.0002   -0.0002       -0.8283   -0.8307
 6     -0.0001   -0.0000        0.8283    0.8307       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        2.4920    2.4920       -0.0005   -0.0005
 2      0.0001    0.0001       -0.0000    0.0000       -0.0005   -0.0005
 3      0.0001    0.0001        2.4920    2.4920        0.0000    0.0000
 4      2.4920    2.4920       -0.0001   -0.0001      -34.1750  -34.1750
 5      0.0005    0.0005       42.3070   42.3070        0.0001    0.0001
 6     -8.1320   -8.1320       -0.0005   -0.0005       -2.4920   -2.4920
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0005    0.0000        3.1417    3.3227        0.0005    0.0007
 2     -3.4848   -3.3227        0.0002    0.0002       45.5203   45.5667
 3     -0.0019   -0.0007      -56.4409  -56.4093       -0.0008   -0.0002
 4     -0.0003   -0.0002        0.0756    0.0000       -0.0009   -0.0007
 5     10.2950   10.8427        0.0013    0.0007        3.2874    3.3227
 6      0.0005    0.0002       -3.2857   -3.3227        0.0001    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0004    0.0000       27.7546   27.7954        0.0015    0.0017
 2    -27.6511  -27.7954        0.0050    0.0036       22.0087   21.8934
 3     -0.0012   -0.0017      -24.8670  -25.0733       -0.0028   -0.0036
 4     -0.0038   -0.0036        0.3361    0.0000       -0.0018   -0.0017
 5      3.6502    3.1799        0.0033    0.0017       27.9222   27.7954
 6      0.0038    0.0036      -28.1300  -27.7954        0.0005    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0084   -0.0065       46.3604   46.4154        0.0098    0.0103
 2     -0.0152   -0.0143       62.6473   62.1047        0.0096    0.0103
 3     -0.0153   -0.0143       46.9980   46.4154        0.0070    0.0076
 4    -15.6672  -15.6893        0.0088    0.0077        4.4711    4.1292
 5     -0.0019   -0.0027      -15.9274  -16.0626       -0.0059   -0.0077
 6     12.3550   11.9334        0.0035    0.0027       16.0417   15.6893
 Full mass-weighted force constant matrix:
 Low frequencies ---    0.0001    0.0004    0.0007    3.2993    4.5562   10.3355
 Low frequencies ---   93.3868  127.1124  136.7425
 Diagonal vibrational polarizability:
        1.1232731       1.2289847       0.8238067
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     93.3867               127.1116               136.7420
 Red. masses --      3.4630                 2.6141                 2.4309
 Frc consts  --      0.0178                 0.0249                 0.0268
 IR Inten    --      0.0012                 0.0011                 0.0015
 RamAct Fr= 1--      1.0373                 0.1226                 0.4733
  Dep-P Fr= 1--      0.5656                 0.7500                 0.3380
  Dep-U Fr= 1--      0.7225                 0.8571                 0.5053
 Alpha2 Fr= 1--      0.0036                 0.0000                 0.0043
 Beta2  Fr= 1--      0.1249                 0.0175                 0.0399
 AlphaG Fr= 1--      0.0021                -0.0000                -0.0157
 Gamma2 Fr= 1--     -0.3351                -0.2600                -0.4647
 Delta2 Fr= 1--     -0.1608                -0.2102                -0.1720
 Raman1 Fr= 1--       4.149                  0.491                  1.893
 ROA1   Fr= 1--     -37.314                -31.681                -50.114
 CID1   Fr= 1--      -8.993                -64.584                -26.471
 Raman2 Fr= 1--       1.499                  0.210                  0.478
 ROA2   Fr= 1--      -6.756                 -4.558                 -9.776
 CID2   Fr= 1--      -4.507                -21.680                -20.441
 Raman3 Fr= 1--       2.998                  0.420                  0.957
 ROA3   Fr= 1--     -37.314                -31.681                -50.114
 CID3   Fr= 1--     -12.447                -75.348                -52.391
 RC180  Fr= 1--       0.445                  0.714                  0.011
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.11   0.03     0.09   0.05  -0.05     0.05   0.05   0.09
     2   6    -0.03   0.05   0.01     0.01   0.01  -0.06     0.03   0.00   0.04
     3   6     0.00   0.13  -0.00    -0.00   0.00  -0.14    -0.00  -0.06  -0.00
     4   6    -0.07  -0.16   0.00    -0.14  -0.02   0.15     0.02  -0.08   0.04
     5   6    -0.23  -0.04  -0.04     0.04   0.02  -0.00     0.10   0.05  -0.16
     6   6    -0.05   0.11  -0.03     0.09  -0.05  -0.05    -0.05   0.05  -0.09
     7   6     0.03   0.05  -0.01     0.01  -0.01  -0.06    -0.03   0.00  -0.04
     8   6     0.23  -0.04   0.04     0.04  -0.02  -0.00    -0.10   0.05   0.16
     9   6     0.07  -0.16  -0.00    -0.14   0.02   0.15    -0.02  -0.08  -0.04
    10   1     0.10   0.08   0.08     0.06   0.06   0.02    -0.03   0.07   0.19
    11   1     0.07   0.16   0.01     0.19   0.08  -0.09     0.16   0.10   0.05
    12   1    -0.09  -0.18  -0.00    -0.36  -0.06   0.12    -0.02  -0.28   0.01
    13   1     0.01  -0.29   0.02    -0.08  -0.01   0.36     0.01   0.01   0.16
    14   1    -0.36   0.01  -0.08    -0.03  -0.01  -0.14     0.15  -0.06  -0.32
    15   1    -0.26  -0.09  -0.05     0.22   0.08   0.10     0.13   0.25  -0.19
    16   1    -0.07   0.16  -0.01     0.19  -0.08  -0.09    -0.16   0.10  -0.05
    17   1    -0.10   0.08  -0.08     0.06  -0.06   0.02     0.03   0.07  -0.19
    18   1     0.36   0.01   0.08    -0.03   0.01  -0.14    -0.15  -0.06   0.32
    19   1     0.26  -0.09   0.05     0.22  -0.08   0.10    -0.13   0.25   0.19
    20   1     0.09  -0.18   0.00    -0.36   0.06   0.12     0.02  -0.28  -0.01
    21   1    -0.01  -0.29  -0.02    -0.08   0.01   0.36    -0.01   0.01  -0.16
                      4                      5                      6
                      A                      A                      A
 Frequencies --    243.9944               261.0571               309.6948
 Red. masses --      2.4431                 2.4648                 2.5338
 Frc consts  --      0.0857                 0.0990                 0.1432
 IR Inten    --      0.0276                 0.0233                 0.1247
 RamAct Fr= 1--      2.8320                 1.3216                 0.0701
  Dep-P Fr= 1--      0.5106                 0.7500                 0.7500
  Dep-U Fr= 1--      0.6760                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0133                 0.0000                 0.0000
 Beta2  Fr= 1--      0.3191                 0.1888                 0.0100
 AlphaG Fr= 1--      0.0052                -0.0000                -0.0000
 Gamma2 Fr= 1--     -0.3143                 1.0837                -0.0165
 Delta2 Fr= 1--     -0.0967                 0.2835                -0.0194
 Raman1 Fr= 1--      11.328                  5.287                  0.281
 ROA1   Fr= 1--     -33.266                113.109                 -2.205
 CID1   Fr= 1--      -2.937                 21.396                 -7.858
 Raman2 Fr= 1--       3.829                  2.266                  0.120
 ROA2   Fr= 1--      -6.770                 23.742                 -0.241
 CID2   Fr= 1--      -1.768                 10.479                 -2.001
 Raman3 Fr= 1--       7.658                  4.531                  0.240
 ROA3   Fr= 1--     -33.266                113.109                 -2.205
 CID3   Fr= 1--      -4.344                 24.962                 -9.168
 RC180  Fr= 1--       0.352                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.12  -0.01  -0.08    -0.02  -0.13   0.01     0.04   0.07   0.07
     2   6    -0.01   0.01  -0.10    -0.08  -0.11   0.07    -0.07  -0.13  -0.09
     3   6     0.00  -0.04  -0.00    -0.06  -0.00   0.03    -0.01   0.00  -0.00
     4   6    -0.16  -0.01   0.09    -0.03  -0.01   0.02    -0.06   0.08  -0.07
     5   6     0.00   0.02  -0.04     0.13  -0.00  -0.08     0.06  -0.09   0.06
     6   6     0.12  -0.01   0.08    -0.02   0.13   0.01     0.04  -0.07   0.07
     7   6     0.01   0.01   0.10    -0.08   0.11   0.07    -0.07   0.13  -0.09
     8   6    -0.00   0.02   0.04     0.13   0.00  -0.08     0.06   0.09   0.06
     9   6     0.16  -0.01  -0.09    -0.03   0.01   0.02    -0.06  -0.08  -0.07
    10   1    -0.18   0.02  -0.15     0.05  -0.14  -0.09     0.24  -0.03   0.26
    11   1    -0.19  -0.07  -0.04    -0.03  -0.22   0.03    -0.06   0.32   0.03
    12   1    -0.40  -0.02   0.05    -0.01  -0.18  -0.00    -0.01   0.19  -0.05
    13   1    -0.08  -0.04   0.30    -0.11   0.18   0.08    -0.13   0.17  -0.15
    14   1    -0.06  -0.02  -0.19     0.35  -0.17  -0.16     0.14  -0.07   0.17
    15   1     0.16   0.10   0.04     0.10   0.24  -0.16     0.10  -0.16   0.10
    16   1     0.19  -0.07   0.04    -0.03   0.22   0.04    -0.06  -0.32   0.03
    17   1     0.18   0.02   0.15     0.05   0.14  -0.09     0.24   0.03   0.26
    18   1     0.06  -0.02   0.19     0.35   0.17  -0.16     0.14   0.07   0.17
    19   1    -0.17   0.10  -0.04     0.10  -0.24  -0.16     0.10   0.16   0.10
    20   1     0.40  -0.02  -0.05    -0.01   0.18  -0.00    -0.01  -0.19  -0.05
    21   1     0.08  -0.04  -0.30    -0.11  -0.18   0.08    -0.13  -0.17  -0.15
                      7                      8                      9
                      A                      A                      A
 Frequencies --    402.1717               425.9712               461.3136
 Red. masses --      2.1065                 2.4669                 2.7609
 Frc consts  --      0.2007                 0.2637                 0.3462
 IR Inten    --      0.1469                 0.0677                 0.2767
 RamAct Fr= 1--      2.5714                 3.1522                 4.5454
  Dep-P Fr= 1--      0.7432                 0.7500                 0.5712
  Dep-U Fr= 1--      0.8527                 0.8571                 0.7271
 Alpha2 Fr= 1--      0.0003                 0.0000                 0.0153
 Beta2  Fr= 1--      0.3654                 0.4503                 0.5508
 AlphaG Fr= 1--      0.0019                 0.0000                 0.0040
 Gamma2 Fr= 1--     -1.5401                 0.0512                 0.9331
 Delta2 Fr= 1--      0.1134                 0.0580                 0.2984
 Raman1 Fr= 1--      10.286                 12.609                 18.182
 ROA1   Fr= 1--    -144.222                  6.774                 99.130
 CID1   Fr= 1--     -14.022                  0.537                  5.452
 Raman2 Fr= 1--       4.385                  5.404                  6.610
 ROA2   Fr= 1--     -37.870                  0.766                 20.008
 CID2   Fr= 1--      -8.635                  0.142                  3.027
 Raman3 Fr= 1--       8.771                 10.808                 13.220
 ROA3   Fr= 1--    -144.222                  6.774                 99.130
 CID3   Fr= 1--     -16.444                  0.627                  7.499
 RC180  Fr= 1--       0.705                  0.714                  0.454
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.11  -0.10     0.15  -0.01   0.01     0.12  -0.00   0.00
     2   6    -0.02   0.04   0.09    -0.08   0.02   0.11    -0.12  -0.11  -0.04
     3   6     0.00   0.12   0.00    -0.09   0.00  -0.13    -0.00   0.09   0.00
     4   6     0.02  -0.01   0.03     0.01   0.05  -0.02    -0.14   0.08  -0.06
     5   6    -0.03   0.06  -0.04    -0.08   0.06  -0.01     0.01  -0.04  -0.04
     6   6    -0.06  -0.11   0.10     0.15   0.01   0.01    -0.12  -0.00  -0.00
     7   6     0.02   0.04  -0.09    -0.08  -0.02   0.11     0.12  -0.11   0.04
     8   6     0.03   0.06   0.04    -0.08  -0.06  -0.01    -0.01  -0.04   0.04
     9   6    -0.02  -0.01  -0.03     0.01  -0.05  -0.02     0.14   0.08   0.06
    10   1     0.14  -0.11  -0.40     0.11  -0.01   0.15     0.37  -0.11   0.14
    11   1     0.01  -0.39  -0.01     0.46   0.01  -0.07     0.09   0.17  -0.04
    12   1     0.04  -0.13   0.01     0.23  -0.05  -0.01    -0.17   0.07  -0.06
    13   1     0.01   0.03   0.07    -0.10   0.16  -0.17    -0.21   0.23  -0.03
    14   1     0.06  -0.01  -0.09    -0.01   0.06   0.07     0.20  -0.14  -0.01
    15   1    -0.11   0.20  -0.13    -0.21   0.06  -0.10     0.01   0.08  -0.07
    16   1    -0.01  -0.39   0.01     0.46  -0.01  -0.07    -0.09   0.17   0.04
    17   1    -0.14  -0.11   0.40     0.11   0.01   0.15    -0.37  -0.11  -0.14
    18   1    -0.06  -0.01   0.09    -0.01  -0.06   0.07    -0.20  -0.14   0.01
    19   1     0.11   0.20   0.13    -0.21  -0.06  -0.10    -0.01   0.08   0.07
    20   1    -0.04  -0.13  -0.01     0.23   0.05  -0.01     0.17   0.07   0.06
    21   1    -0.01   0.03  -0.07    -0.10  -0.16  -0.17     0.21   0.23   0.03
                     10                     11                     12
                      A                      A                      A
 Frequencies --    565.9291               624.9180               661.3826
 Red. masses --      3.3798                 3.0782                 2.8453
 Frc consts  --      0.6378                 0.7083                 0.7333
 IR Inten    --      0.2920                 0.3828                 0.1138
 RamAct Fr= 1--     21.0199                16.1885                10.8770
  Dep-P Fr= 1--      0.1714                 0.7500                 0.6661
  Dep-U Fr= 1--      0.2926                 0.8571                 0.7996
 Alpha2 Fr= 1--      0.3077                 0.0000                 0.0162
 Beta2  Fr= 1--      1.0250                 2.3126                 1.4495
 AlphaG Fr= 1--      0.0904                 0.0000                 0.0032
 Gamma2 Fr= 1--     -0.4049                -0.6453                 2.5666
 Delta2 Fr= 1--     -0.8450                 3.0864                -2.1233
 Raman1 Fr= 1--      84.079                 64.754                 43.508
 ROA1   Fr= 1--     -65.915                 36.820                178.453
 CID1   Fr= 1--      -0.784                  0.569                  4.102
 Raman2 Fr= 1--      12.300                 27.752                 17.394
 ROA2   Fr= 1--      -2.959                -40.178                 78.585
 CID2   Fr= 1--      -0.241                 -1.448                  4.518
 Raman3 Fr= 1--      24.600                 55.504                 34.787
 ROA3   Fr= 1--     -65.915                 36.820                178.453
 CID3   Fr= 1--      -2.679                  0.663                  5.130
 RC180  Fr= 1--      -0.415                  0.714                  0.599
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.12   0.06  -0.12     0.11  -0.08   0.04    -0.14   0.08   0.01
     2   6     0.10   0.04  -0.15     0.04   0.01  -0.04    -0.09  -0.05   0.08
     3   6     0.00   0.15   0.00     0.13  -0.00   0.21     0.00   0.21   0.00
     4   6     0.06  -0.09  -0.01    -0.08   0.12  -0.01     0.02  -0.08   0.00
     5   6     0.13  -0.06   0.04    -0.10   0.05  -0.07     0.07  -0.05   0.06
     6   6    -0.12   0.06   0.12     0.11   0.08   0.04     0.14   0.08  -0.01
     7   6    -0.10   0.04   0.15     0.04  -0.01  -0.04     0.09  -0.05  -0.08
     8   6    -0.13  -0.06  -0.04    -0.10  -0.05  -0.07    -0.07  -0.05  -0.06
     9   6    -0.06  -0.09   0.01    -0.08  -0.12  -0.01    -0.02  -0.08  -0.00
    10   1     0.27   0.01  -0.19     0.32  -0.14  -0.15     0.01   0.03  -0.09
    11   1     0.03   0.09  -0.11    -0.18  -0.17   0.14    -0.38   0.10   0.06
    12   1    -0.15   0.05  -0.02    -0.25   0.21  -0.03     0.09  -0.23  -0.00
    13   1     0.19  -0.25   0.13    -0.04   0.07   0.05    -0.02   0.04   0.05
    14   1     0.02  -0.03  -0.02    -0.15   0.05  -0.13     0.35  -0.18   0.12
    15   1     0.27  -0.14   0.15    -0.09   0.11  -0.08    -0.04   0.08  -0.05
    16   1    -0.03   0.09   0.11    -0.18   0.17   0.14     0.38   0.10  -0.06
    17   1    -0.27   0.01   0.19     0.32   0.14  -0.15    -0.01   0.03   0.09
    18   1    -0.02  -0.03   0.02    -0.15  -0.05  -0.13    -0.35  -0.18  -0.12
    19   1    -0.27  -0.14  -0.15    -0.09  -0.11  -0.08     0.04   0.08   0.05
    20   1     0.15   0.05   0.02    -0.25  -0.21  -0.03    -0.09  -0.23   0.00
    21   1    -0.19  -0.25  -0.13    -0.04  -0.07   0.05     0.02   0.04  -0.05
                     13                     14                     15
                      A                      A                      A
 Frequencies --    791.5430               795.9907               861.6292
 Red. masses --      1.0305                 1.0477                 1.4451
 Frc consts  --      0.3804                 0.3911                 0.6321
 IR Inten    --      0.1017                 0.0658                 0.7784
 RamAct Fr= 1--      0.9829                 0.8955                 3.6720
  Dep-P Fr= 1--      0.7500                 0.5622                 0.7500
  Dep-U Fr= 1--      0.8571                 0.7198                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0032                 0.0000
 Beta2  Fr= 1--      0.1404                 0.1074                 0.5246
 AlphaG Fr= 1--      0.0000                 0.0106                 0.0000
 Gamma2 Fr= 1--      0.4790                -0.6665                -1.0027
 Delta2 Fr= 1--     -0.1457                 0.0154                -2.0526
 Raman1 Fr= 1--       3.932                  3.582                 14.688
 ROA1   Fr= 1--      41.323                -63.489               -161.942
 CID1   Fr= 1--      10.511                -17.723                -11.025
 Raman2 Fr= 1--       1.685                  1.289                  6.295
 ROA2   Fr= 1--      12.662                -16.119                 -7.644
 CID2   Fr= 1--       7.515                -12.504                 -1.214
 Raman3 Fr= 1--       3.370                  2.578                 12.590
 ROA3   Fr= 1--      41.323                -63.489               -161.942
 CID3   Fr= 1--      12.262                -24.624                -12.863
 RC180  Fr= 1--       0.714                  0.440                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01  -0.01     0.01   0.00  -0.01     0.01   0.00   0.06
     2   6     0.00   0.00  -0.01     0.01   0.01  -0.02     0.04   0.03   0.02
     3   6     0.02  -0.00   0.01     0.00  -0.03   0.00    -0.01   0.00  -0.00
     4   6     0.01   0.00  -0.01     0.01   0.00  -0.01    -0.07   0.01  -0.02
     5   6     0.01   0.01  -0.01     0.01   0.01  -0.01     0.04  -0.06  -0.05
     6   6     0.00  -0.01  -0.01    -0.01   0.00   0.01     0.01  -0.00   0.06
     7   6     0.00  -0.00  -0.01    -0.01   0.01   0.02     0.04  -0.03   0.02
     8   6     0.01  -0.01  -0.01    -0.01   0.01   0.01     0.04   0.06  -0.05
     9   6     0.01  -0.00  -0.01    -0.01   0.00   0.01    -0.07  -0.01  -0.02
    10   1     0.02   0.01  -0.04    -0.03   0.02  -0.00    -0.25   0.13  -0.15
    11   1    -0.06   0.02   0.00     0.04   0.01  -0.02     0.16  -0.30   0.11
    12   1    -0.14  -0.31  -0.07    -0.14  -0.31  -0.07     0.08  -0.01  -0.01
    13   1    -0.02   0.22   0.28    -0.02   0.22   0.27    -0.17   0.16  -0.12
    14   1     0.09   0.12   0.31     0.05   0.16   0.31    -0.16   0.10   0.04
    15   1    -0.26  -0.21  -0.12    -0.23  -0.25  -0.10     0.15  -0.30   0.09
    16   1    -0.06  -0.02   0.00    -0.04   0.01   0.02     0.16   0.31   0.11
    17   1     0.02  -0.01  -0.04     0.03   0.02   0.00    -0.26  -0.13  -0.16
    18   1     0.09  -0.12   0.31    -0.05   0.16  -0.31    -0.16  -0.10   0.04
    19   1    -0.26   0.21  -0.12     0.23  -0.25   0.10     0.16   0.31   0.09
    20   1    -0.14   0.31  -0.07     0.14  -0.31   0.07     0.09   0.01  -0.01
    21   1    -0.02  -0.22   0.28     0.02   0.22  -0.27    -0.18  -0.16  -0.12
                     16                     17                     18
                      A                      A                      A
 Frequencies --    862.0283               876.7302               906.4135
 Red. masses --      1.5158                 1.6655                 2.7703
 Frc consts  --      0.6636                 0.7543                 1.3410
 IR Inten    --      0.5356                 3.5676                14.6226
 RamAct Fr= 1--      9.1295                 8.5530                 2.8969
  Dep-P Fr= 1--      0.7307                 0.7500                 0.7245
  Dep-U Fr= 1--      0.8444                 0.8571                 0.8402
 Alpha2 Fr= 1--      0.0030                 0.0000                 0.0013
 Beta2  Fr= 1--      1.2849                 1.2219                 0.4057
 AlphaG Fr= 1--      0.0071                 0.0000                 0.0058
 Gamma2 Fr= 1--     -4.3773                -0.9643                 6.5632
 Delta2 Fr= 1--     -2.0512                -1.0712                 3.6715
 Raman1 Fr= 1--      36.518                 34.212                 11.588
 ROA1   Fr= 1--    -485.863               -126.851                747.553
 CID1   Fr= 1--     -13.305                 -3.708                 64.513
 Raman2 Fr= 1--      15.418                 14.662                  4.868
 ROA2   Fr= 1--     -88.647                -14.573                128.144
 CID2   Fr= 1--      -5.749                 -0.994                 26.323
 Raman3 Fr= 1--      30.836                 29.325                  9.736
 ROA3   Fr= 1--    -485.863               -126.851                747.553
 CID3   Fr= 1--     -15.756                 -4.326                 76.780
 RC180  Fr= 1--       0.689                  0.714                  0.680
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.06   0.01    -0.04  -0.12   0.05     0.02   0.03  -0.17
     2   6     0.01  -0.04  -0.04     0.06   0.00  -0.02    -0.11  -0.00  -0.02
     3   6     0.00   0.01   0.00    -0.06   0.00  -0.03     0.00  -0.14   0.00
     4   6     0.09   0.03   0.03     0.02   0.05  -0.02     0.01  -0.09   0.00
     5   6    -0.06   0.05   0.01    -0.01  -0.03  -0.03     0.01   0.10   0.09
     6   6     0.02  -0.06  -0.01    -0.04   0.12   0.05    -0.02   0.03   0.17
     7   6    -0.01  -0.04   0.04     0.06  -0.00  -0.02     0.11  -0.00   0.02
     8   6     0.05   0.05  -0.01    -0.01   0.03  -0.03    -0.01   0.10  -0.09
     9   6    -0.09   0.03  -0.03     0.02  -0.05  -0.02    -0.01  -0.09  -0.00
    10   1     0.25  -0.18   0.21    -0.23  -0.08   0.42    -0.11   0.04   0.20
    11   1    -0.21   0.26  -0.03     0.26   0.13  -0.09     0.22   0.28  -0.29
    12   1    -0.18   0.04  -0.00    -0.25   0.10  -0.04     0.18  -0.14   0.02
    13   1     0.24  -0.15   0.22     0.15  -0.07   0.18    -0.09  -0.01  -0.14
    14   1     0.06  -0.03  -0.03    -0.02  -0.01   0.00     0.10   0.01   0.02
    15   1    -0.16   0.19  -0.09    -0.01  -0.06  -0.03    -0.08   0.24   0.00
    16   1     0.20   0.25   0.03     0.26  -0.13  -0.09    -0.22   0.28   0.29
    17   1    -0.24  -0.18  -0.21    -0.23   0.08   0.42     0.11   0.04  -0.20
    18   1    -0.05  -0.03   0.03    -0.02   0.01   0.00    -0.10   0.01  -0.02
    19   1     0.16   0.18   0.09    -0.01   0.06  -0.03     0.08   0.24  -0.00
    20   1     0.18   0.04   0.00    -0.25  -0.10  -0.04    -0.18  -0.14  -0.02
    21   1    -0.23  -0.14  -0.22     0.15   0.07   0.18     0.09  -0.01   0.14
                     19                     20                     21
                      A                      A                      A
 Frequencies --    928.4293               933.5933               966.3067
 Red. masses --      2.0379                 3.5645                 1.3546
 Frc consts  --      1.0350                 1.8305                 0.7453
 IR Inten    --      5.4253                23.0296                 0.8269
 RamAct Fr= 1--      0.2360                 2.1716                 4.0290
  Dep-P Fr= 1--      0.7500                 0.7500                 0.7133
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8327
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0026
 Beta2  Fr= 1--      0.0337                 0.3102                 0.5591
 AlphaG Fr= 1--      0.0000                 0.0000                -0.0105
 Gamma2 Fr= 1--      0.8171                 2.2571                -1.7657
 Delta2 Fr= 1--      0.1305                 0.9944                -0.9072
 Raman1 Fr= 1--       0.944                  8.686                 16.116
 ROA1   Fr= 1--      82.616                248.505               -198.538
 CID1   Fr= 1--      87.512                 28.608                -12.319
 Raman2 Fr= 1--       0.405                  3.723                  6.710
 ROA2   Fr= 1--      18.567                 46.216                -35.119
 CID2   Fr= 1--      45.890                 12.415                 -5.234
 Raman3 Fr= 1--       0.809                  7.445                 13.419
 ROA3   Fr= 1--      82.616                248.505               -198.538
 CID3   Fr= 1--     102.098                 33.377                -14.795
 RC180  Fr= 1--       0.714                  0.714                  0.665
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.07  -0.05    -0.08   0.03  -0.02    -0.00  -0.00   0.00
     2   6     0.03   0.03   0.10     0.06  -0.14   0.02    -0.02  -0.05  -0.04
     3   6     0.10   0.00   0.02     0.07  -0.00  -0.11    -0.00   0.03  -0.00
     4   6    -0.04   0.04  -0.04     0.08   0.11   0.18     0.01  -0.01   0.08
     5   6    -0.03  -0.13   0.01    -0.08  -0.07  -0.12     0.01   0.05  -0.04
     6   6    -0.00  -0.07  -0.05    -0.08  -0.03  -0.02     0.00  -0.00  -0.00
     7   6     0.03  -0.03   0.10     0.06   0.14   0.02     0.02  -0.05   0.04
     8   6    -0.03   0.13   0.01    -0.08   0.07  -0.12    -0.01   0.05   0.04
     9   6    -0.04  -0.04  -0.04     0.08  -0.11   0.18    -0.01  -0.01  -0.08
    10   1    -0.18   0.14  -0.04     0.02  -0.01  -0.00     0.21  -0.09  -0.03
    11   1     0.11   0.00  -0.06    -0.14   0.10  -0.03    -0.21   0.07   0.03
    12   1    -0.17   0.15  -0.03     0.34   0.02   0.20     0.32  -0.16   0.09
    13   1    -0.01   0.02   0.05    -0.07   0.29  -0.02    -0.13   0.15  -0.13
    14   1     0.33  -0.35  -0.02    -0.21  -0.02  -0.14    -0.26   0.21  -0.02
    15   1    -0.16   0.21  -0.17    -0.09  -0.15  -0.11     0.15  -0.21   0.12
    16   1     0.11  -0.00  -0.06    -0.14  -0.10  -0.03     0.21   0.07  -0.03
    17   1    -0.18  -0.14  -0.04     0.02   0.01  -0.00    -0.21  -0.09   0.03
    18   1     0.33   0.35  -0.02    -0.21   0.01  -0.14     0.26   0.21   0.02
    19   1    -0.16  -0.21  -0.17    -0.09   0.15  -0.11    -0.15  -0.21  -0.11
    20   1    -0.17  -0.15  -0.03     0.34  -0.02   0.20    -0.31  -0.16  -0.09
    21   1    -0.01  -0.02   0.05    -0.07  -0.29  -0.02     0.13   0.15   0.13
                     22                     23                     24
                      A                      A                      A
 Frequencies --    994.6179              1011.5672              1034.3408
 Red. masses --      2.8669                 1.2651                 1.2653
 Frc consts  --      1.6710                 0.7627                 0.7976
 IR Inten    --      2.9611                 1.9409                 5.3207
 RamAct Fr= 1--     60.6136                 0.8649                 3.8942
  Dep-P Fr= 1--      0.0278                 0.7500                 0.4305
  Dep-U Fr= 1--      0.0541                 0.8571                 0.6019
 Alpha2 Fr= 1--      1.2619                 0.0000                 0.0258
 Beta2  Fr= 1--      0.5469                 0.1236                 0.3906
 AlphaG Fr= 1--      0.0525                -0.0000                 0.0136
 Gamma2 Fr= 1--     -2.2568                -1.0357                -1.6352
 Delta2 Fr= 1--     -0.4550                -0.3984                -1.0584
 Raman1 Fr= 1--     242.455                  3.460                 15.577
 ROA1   Fr= 1--    -231.215               -112.180               -190.844
 CID1   Fr= 1--      -0.954                -32.426                -12.252
 Raman2 Fr= 1--       6.563                  1.483                  4.688
 ROA2   Fr= 1--     -50.524                -21.670                -30.777
 CID2   Fr= 1--      -7.699                -14.616                 -6.565
 Raman3 Fr= 1--      13.125                  2.965                  9.376
 ROA3   Fr= 1--    -231.215               -112.180               -190.844
 CID3   Fr= 1--     -17.616                -37.830                -20.355
 RC180  Fr= 1--      -0.892                  0.714                  0.204
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.08   0.12    -0.05   0.04   0.03    -0.05   0.01  -0.02
     2   6    -0.05   0.05  -0.03     0.01   0.00   0.01     0.00  -0.01  -0.00
     3   6     0.00   0.01  -0.00    -0.03  -0.00  -0.03    -0.00   0.02   0.00
     4   6    -0.08  -0.08  -0.13     0.00   0.05  -0.00    -0.01   0.06   0.02
     5   6     0.04   0.14   0.07    -0.04  -0.01  -0.04    -0.05  -0.01  -0.04
     6   6     0.00  -0.08  -0.12    -0.05  -0.04   0.03     0.05   0.01   0.02
     7   6     0.05   0.05   0.03     0.01  -0.00   0.01    -0.00  -0.01   0.00
     8   6    -0.04   0.14  -0.07    -0.04   0.01  -0.04     0.05  -0.01   0.04
     9   6     0.08  -0.08   0.13     0.00  -0.05  -0.00     0.01   0.06  -0.02
    10   1     0.13  -0.12   0.04     0.34  -0.10  -0.14     0.09  -0.06   0.06
    11   1    -0.09  -0.15   0.17     0.22  -0.18   0.03     0.31  -0.05  -0.08
    12   1    -0.15  -0.17  -0.16     0.01  -0.15  -0.03     0.15  -0.27  -0.01
    13   1     0.04  -0.28  -0.07     0.20  -0.28   0.07     0.15  -0.26  -0.01
    14   1     0.03   0.21   0.17     0.20  -0.05   0.14     0.24  -0.07   0.16
    15   1     0.20   0.03   0.21     0.18  -0.07   0.12     0.25  -0.07   0.16
    16   1     0.09  -0.15  -0.17     0.22   0.18   0.03    -0.31  -0.05   0.08
    17   1    -0.13  -0.12  -0.04     0.34   0.10  -0.14    -0.09  -0.06  -0.06
    18   1    -0.03   0.21  -0.17     0.20   0.05   0.14    -0.24  -0.07  -0.16
    19   1    -0.20   0.03  -0.21     0.18   0.07   0.12    -0.25  -0.07  -0.16
    20   1     0.15  -0.17   0.16     0.01   0.15  -0.03    -0.15  -0.27   0.01
    21   1    -0.04  -0.28   0.06     0.20   0.28   0.07    -0.15  -0.26   0.01
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1055.9424              1064.6377              1073.8942
 Red. masses --      1.3134                 1.5742                 1.3349
 Frc consts  --      0.8628                 1.0512                 0.9070
 IR Inten    --      6.3927                 2.2464                 0.3236
 RamAct Fr= 1--      3.0211                 1.4532                 3.3653
  Dep-P Fr= 1--      0.7500                 0.7500                 0.6853
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8133
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0038
 Beta2  Fr= 1--      0.4316                 0.2076                 0.4562
 AlphaG Fr= 1--     -0.0000                -0.0000                -0.0274
 Gamma2 Fr= 1--      0.2134                 1.2225                 0.2503
 Delta2 Fr= 1--      2.0879                 0.4171                -0.4781
 Raman1 Fr= 1--      12.084                  5.813                 13.461
 ROA1   Fr= 1--      87.296                130.707                  8.733
 CID1   Fr= 1--       7.224                 22.487                  0.649
 Raman2 Fr= 1--       5.179                  2.491                  5.474
 ROA2   Fr= 1--     -11.582                 26.004                  9.833
 CID2   Fr= 1--      -2.236                 10.439                  1.796
 Raman3 Fr= 1--      10.358                  4.982                 10.948
 ROA3   Fr= 1--      87.296                130.707                  8.733
 CID3   Fr= 1--       8.428                 26.235                  0.798
 RC180  Fr= 1--       0.714                  0.714                  0.627
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.04   0.04    -0.09  -0.01  -0.06     0.10  -0.02  -0.01
     2   6    -0.01  -0.01  -0.00     0.01   0.04   0.02     0.00  -0.00   0.00
     3   6    -0.05  -0.00  -0.05     0.08  -0.00   0.11     0.00  -0.01   0.00
     4   6     0.05  -0.02  -0.01    -0.04  -0.04  -0.01    -0.02   0.05   0.00
     5   6     0.04  -0.02   0.03     0.03   0.00   0.00    -0.02  -0.01  -0.01
     6   6    -0.03  -0.04   0.04    -0.09   0.01  -0.06    -0.10  -0.02   0.01
     7   6    -0.01   0.01  -0.00     0.01  -0.04   0.02    -0.00  -0.00  -0.00
     8   6     0.04   0.02   0.03     0.03  -0.00   0.00     0.02  -0.01   0.01
     9   6     0.05   0.02  -0.01    -0.04   0.04  -0.01     0.02   0.05  -0.00
    10   1     0.21  -0.03  -0.18     0.31  -0.19   0.18    -0.36   0.16   0.00
    11   1     0.15  -0.19   0.06     0.36   0.11  -0.20    -0.44   0.14   0.07
    12   1    -0.22   0.31   0.00     0.08  -0.03   0.01     0.10  -0.20  -0.01
    13   1     0.03   0.10   0.13    -0.19   0.22  -0.08     0.08  -0.18  -0.03
    14   1    -0.22   0.03  -0.16    -0.14   0.06  -0.06     0.10  -0.04   0.06
    15   1    -0.25   0.02  -0.18     0.04  -0.05   0.02     0.07   0.02   0.04
    16   1     0.15   0.19   0.06     0.36  -0.11  -0.20     0.44   0.14  -0.07
    17   1     0.21   0.03  -0.18     0.31   0.19   0.18     0.36   0.16  -0.00
    18   1    -0.22  -0.03  -0.16    -0.14  -0.06  -0.06    -0.10  -0.04  -0.06
    19   1    -0.25  -0.02  -0.18     0.04   0.05   0.02    -0.07   0.02  -0.04
    20   1    -0.22  -0.31   0.00     0.08   0.03   0.01    -0.10  -0.20   0.01
    21   1     0.03  -0.10   0.13    -0.19  -0.22  -0.08    -0.08  -0.18   0.03
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1078.8696              1079.4291              1105.0154
 Red. masses --      1.4365                 1.4228                 1.7863
 Frc consts  --      0.9851                 0.9768                 1.2851
 IR Inten    --      0.5532                 0.7807                 3.7244
 RamAct Fr= 1--      0.4760                 1.4655                 0.9159
  Dep-P Fr= 1--      0.7500                 0.7380                 0.3984
  Dep-U Fr= 1--      0.8571                 0.8492                 0.5697
 Alpha2 Fr= 1--      0.0000                 0.0003                 0.0068
 Beta2  Fr= 1--      0.0680                 0.2074                 0.0870
 AlphaG Fr= 1--     -0.0000                 0.0026                -0.0088
 Gamma2 Fr= 1--      0.1534                -0.0044                 1.0398
 Delta2 Fr= 1--     -0.1832                -0.5007                -0.1827
 Raman1 Fr= 1--       1.904                  5.862                  3.664
 ROA1   Fr= 1--       8.860                -16.448                 93.971
 CID1   Fr= 1--       4.653                 -2.806                 25.649
 Raman2 Fr= 1--       0.816                  2.489                  1.044
 ROA2   Fr= 1--       5.146                  3.899                 26.415
 CID2   Fr= 1--       6.307                  1.566                 25.310
 Raman3 Fr= 1--       1.632                  4.978                  2.087
 ROA3   Fr= 1--       8.860                -16.448                 93.971
 CID3   Fr= 1--       5.429                 -3.304                 45.019
 RC180  Fr= 1--       0.714                  0.698                  0.139
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.02  -0.01  -0.00    -0.03  -0.11  -0.03
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.03   0.06
     3   6     0.01  -0.00   0.01    -0.00   0.01  -0.00     0.00   0.17   0.00
     4   6    -0.06   0.08  -0.01     0.06  -0.07   0.01    -0.00   0.00  -0.02
     5   6     0.08  -0.03   0.04    -0.08   0.03  -0.05     0.04  -0.02  -0.02
     6   6    -0.00   0.00  -0.00    -0.02  -0.01   0.00     0.03  -0.11   0.03
     7   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.03  -0.06
     8   6     0.08   0.03   0.04     0.08   0.03   0.05    -0.04  -0.02   0.02
     9   6    -0.06  -0.08  -0.01    -0.06  -0.07  -0.01     0.00   0.00   0.02
    10   1    -0.00  -0.01   0.02    -0.10   0.04   0.01    -0.30  -0.05   0.39
    11   1    -0.01   0.02  -0.01    -0.06   0.02   0.01     0.14   0.23  -0.17
    12   1     0.18  -0.33  -0.03    -0.15   0.28   0.03    -0.06   0.02  -0.02
    13   1     0.14  -0.31  -0.03    -0.13   0.28   0.02    -0.00   0.04   0.05
    14   1    -0.28   0.05  -0.18     0.29  -0.05   0.20    -0.23   0.10  -0.09
    15   1    -0.25   0.05  -0.19     0.30  -0.06   0.22     0.10  -0.15   0.05
    16   1    -0.01  -0.02  -0.01     0.06   0.02  -0.01    -0.14   0.23   0.17
    17   1    -0.00   0.01   0.02     0.10   0.04  -0.01     0.30  -0.05  -0.39
    18   1    -0.28  -0.05  -0.18    -0.29  -0.05  -0.20     0.23   0.10   0.09
    19   1    -0.25  -0.05  -0.19    -0.30  -0.06  -0.22    -0.10  -0.15  -0.05
    20   1     0.18   0.33  -0.03     0.15   0.28  -0.03     0.06   0.02   0.02
    21   1     0.14   0.31  -0.03     0.13   0.28  -0.02     0.00   0.04  -0.05
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1121.5264              1131.0435              1170.6962
 Red. masses --      1.8731                 2.1068                 1.7698
 Frc consts  --      1.3881                 1.5879                 1.4291
 IR Inten    --      1.0555                 0.5233                 3.5380
 RamAct Fr= 1--      0.6353                 3.5271                 1.1935
  Dep-P Fr= 1--      0.7500                 0.7467                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8550                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0002                 0.0000
 Beta2  Fr= 1--      0.0908                 0.5026                 0.1705
 AlphaG Fr= 1--      0.0000                -0.0138                 0.0000
 Gamma2 Fr= 1--     -1.7621                -0.0699                -0.3329
 Delta2 Fr= 1--     -0.8552                 0.4814                 1.4916
 Raman1 Fr= 1--       2.541                 14.108                  4.774
 ROA1   Fr= 1--    -196.532                  8.698                 15.773
 CID1   Fr= 1--     -77.341                  0.616                  3.304
 Raman2 Fr= 1--       1.089                  6.031                  2.046
 ROA2   Fr= 1--     -35.450                 -5.528                -19.923
 CID2   Fr= 1--     -32.551                 -0.917                 -9.737
 Raman3 Fr= 1--       2.178                 12.062                  4.092
 ROA3   Fr= 1--    -196.532                  8.698                 15.773
 CID3   Fr= 1--     -90.232                  0.721                  3.854
 RC180  Fr= 1--       0.714                  0.710                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.03   0.02    -0.02  -0.02  -0.05    -0.03  -0.04   0.06
     2   6    -0.02  -0.10  -0.12     0.08   0.14   0.09     0.09   0.06  -0.06
     3   6     0.08  -0.00   0.08    -0.00  -0.11  -0.00    -0.02  -0.00  -0.09
     4   6     0.01  -0.01   0.03    -0.06  -0.01  -0.03    -0.07  -0.04   0.05
     5   6    -0.03   0.06   0.04    -0.00  -0.06  -0.01     0.01   0.01   0.00
     6   6    -0.02  -0.03   0.02     0.02  -0.02   0.05    -0.03   0.04   0.06
     7   6    -0.02   0.10  -0.12    -0.08   0.14  -0.09     0.09  -0.06  -0.06
     8   6    -0.03  -0.06   0.04     0.00  -0.06   0.01     0.01  -0.01   0.00
     9   6     0.01   0.01   0.03     0.06  -0.01   0.03    -0.07   0.04   0.05
    10   1    -0.30   0.14  -0.03     0.42  -0.21   0.09     0.16  -0.11   0.01
    11   1     0.45  -0.26  -0.01    -0.29   0.27  -0.06    -0.08  -0.01   0.07
    12   1     0.08  -0.09   0.02     0.06  -0.08  -0.02     0.19   0.11   0.10
    13   1    -0.02  -0.01  -0.06    -0.13   0.12  -0.05    -0.16  -0.05  -0.25
    14   1     0.11  -0.03   0.03     0.07  -0.08   0.02     0.29  -0.04   0.20
    15   1    -0.12   0.18  -0.04     0.09   0.02   0.03    -0.30   0.09  -0.22
    16   1     0.45   0.26  -0.01     0.28   0.26   0.06    -0.08   0.02   0.07
    17   1    -0.30  -0.14  -0.03    -0.42  -0.21  -0.09     0.16   0.11   0.01
    18   1     0.11   0.03   0.03    -0.07  -0.08  -0.02     0.29   0.04   0.20
    19   1    -0.12  -0.18  -0.04    -0.09   0.02  -0.03    -0.30  -0.09  -0.22
    20   1     0.08   0.09   0.02    -0.06  -0.08   0.02     0.19  -0.11   0.10
    21   1    -0.02   0.01  -0.06     0.13   0.12   0.05    -0.16   0.05  -0.25
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1178.5041              1178.5411              1188.2199
 Red. masses --      1.3389                 1.5148                 2.0825
 Frc consts  --      1.0956                 1.2396                 1.7324
 IR Inten    --      0.3003                 1.2186                 1.9474
 RamAct Fr= 1--      0.9501                 0.0632                 1.8639
  Dep-P Fr= 1--      0.6004                 0.7021                 0.1886
  Dep-U Fr= 1--      0.7503                 0.8250                 0.3173
 Alpha2 Fr= 1--      0.0026                 0.0001                 0.0261
 Beta2  Fr= 1--      0.1188                 0.0087                 0.0986
 AlphaG Fr= 1--      0.0007                 0.0000                -0.0547
 Gamma2 Fr= 1--     -0.5369                 0.1054                 0.4813
 Delta2 Fr= 1--     -0.3695                -0.1171                -0.0859
 Raman1 Fr= 1--       3.800                  0.253                  7.456
 ROA1   Fr= 1--     -63.368                  6.377                 43.454
 CID1   Fr= 1--     -16.674                 25.225                  5.828
 Raman2 Fr= 1--       1.426                  0.104                  1.183
 ROA2   Fr= 1--      -9.931                  3.467                 12.238
 CID2   Fr= 1--      -6.965                 33.247                 10.345
 Raman3 Fr= 1--       2.851                  0.209                  2.366
 ROA3   Fr= 1--     -63.368                  6.377                 43.454
 CID3   Fr= 1--     -22.223                 30.576                 18.367
 RC180  Fr= 1--       0.501                  0.650                 -0.365
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01  -0.02    -0.01  -0.01   0.04    -0.01  -0.07   0.05
     2   6    -0.03  -0.00   0.04     0.05   0.03  -0.03     0.10   0.05  -0.13
     3   6     0.00  -0.01   0.01    -0.03  -0.00  -0.07     0.00   0.10  -0.00
     4   6    -0.04  -0.02   0.05     0.02   0.01  -0.04    -0.05  -0.04   0.06
     5   6     0.06   0.03  -0.08    -0.05  -0.03   0.07    -0.01   0.00   0.02
     6   6     0.00   0.00   0.01    -0.01   0.02   0.05     0.01  -0.07  -0.05
     7   6     0.01   0.00  -0.03     0.06  -0.03  -0.05    -0.10   0.05   0.13
     8   6    -0.05   0.02   0.06    -0.06   0.03   0.09     0.01   0.00  -0.02
     9   6     0.04  -0.02  -0.04     0.03  -0.01  -0.05     0.05  -0.04  -0.06
    10   1     0.03  -0.01   0.02     0.08  -0.04  -0.03    -0.12  -0.03   0.10
    11   1    -0.04   0.05  -0.03    -0.06  -0.03   0.06     0.11   0.01  -0.00
    12   1    -0.03   0.39   0.11     0.06  -0.29  -0.07     0.27  -0.03   0.10
    13   1     0.07  -0.37  -0.16    -0.09   0.29   0.08    -0.21   0.10  -0.22
    14   1     0.14   0.18   0.29    -0.04  -0.17  -0.18     0.28  -0.12   0.12
    15   1    -0.19  -0.25  -0.18     0.10   0.23   0.10    -0.26   0.16  -0.18
    16   1     0.06   0.04   0.01    -0.05   0.05   0.07    -0.11   0.01   0.00
    17   1    -0.05  -0.02  -0.01     0.07   0.04  -0.03     0.12  -0.03  -0.10
    18   1    -0.12   0.13  -0.23    -0.07   0.21  -0.26    -0.28  -0.12  -0.12
    19   1     0.16  -0.18   0.14     0.15  -0.29   0.15     0.26   0.16   0.18
    20   1     0.02   0.30  -0.09     0.06   0.39  -0.10    -0.27  -0.03  -0.10
    21   1    -0.05  -0.28   0.13    -0.11  -0.39   0.12     0.21   0.10   0.22
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1249.0794              1424.4106              1453.8704
 Red. masses --      4.4486                 1.4867                 1.1026
 Frc consts  --      4.0894                 1.7772                 1.3732
 IR Inten    --      1.2360                 0.3157                 0.9698
 RamAct Fr= 1--      2.3468                10.7278                11.7492
  Dep-P Fr= 1--      0.7500                 0.3118                 0.7500
  Dep-U Fr= 1--      0.8571                 0.4754                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.1062                 0.0000
 Beta2  Fr= 1--      0.3353                 0.8500                 1.6785
 AlphaG Fr= 1--      0.0000                 0.0532                -0.0000
 Gamma2 Fr= 1--      1.9222                 5.2227                -5.8296
 Delta2 Fr= 1--      1.3743                 1.3028                -2.0957
 Raman1 Fr= 1--       9.387                 42.911                 46.997
 ROA1   Fr= 1--     228.507                543.069               -626.702
 CID1   Fr= 1--      24.342                 12.656                -13.335
 Raman2 Fr= 1--       4.023                 10.200                 20.142
 ROA2   Fr= 1--      35.139                114.922               -123.145
 CID2   Fr= 1--       8.734                 11.267                 -6.114
 Raman3 Fr= 1--       8.046                 20.400                 40.283
 ROA3   Fr= 1--     228.507                543.069               -626.702
 CID3   Fr= 1--      28.399                 26.622                -15.557
 RC180  Fr= 1--       0.714                 -0.049                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08   0.00   0.05     0.02  -0.00  -0.00     0.00   0.03  -0.04
     2   6     0.07  -0.15   0.14    -0.10   0.09  -0.05    -0.02   0.02  -0.01
     3   6     0.27   0.00  -0.24    -0.00  -0.03   0.00     0.04   0.00  -0.02
     4   6    -0.08  -0.03  -0.11     0.01  -0.00   0.01    -0.00  -0.00  -0.00
     5   6    -0.00   0.13   0.03     0.01  -0.02  -0.00     0.00   0.01   0.01
     6   6    -0.08  -0.00   0.05    -0.02  -0.00   0.00     0.00  -0.03  -0.04
     7   6     0.07   0.15   0.14     0.10   0.09   0.05    -0.02  -0.02  -0.01
     8   6    -0.00  -0.13   0.03    -0.01  -0.02   0.00     0.00  -0.01   0.01
     9   6    -0.08   0.03  -0.11    -0.01  -0.00  -0.01    -0.00   0.00  -0.00
    10   1    -0.03  -0.03   0.09     0.03  -0.05   0.29     0.05  -0.06   0.46
    11   1    -0.12  -0.07   0.09    -0.09  -0.27   0.11    -0.14  -0.42   0.14
    12   1    -0.31  -0.03  -0.15     0.25   0.11   0.07     0.08   0.03   0.02
    13   1    -0.06  -0.11  -0.14     0.09   0.02   0.26     0.02   0.01   0.08
    14   1    -0.15   0.27   0.12     0.10  -0.18  -0.17     0.05  -0.08  -0.10
    15   1     0.07   0.17   0.09    -0.05  -0.26   0.01    -0.04  -0.13   0.01
    16   1    -0.12   0.07   0.09     0.09  -0.27  -0.11    -0.14   0.42   0.14
    17   1    -0.03   0.03   0.09    -0.03  -0.05  -0.29     0.05   0.06   0.46
    18   1    -0.15  -0.27   0.12    -0.10  -0.18   0.17     0.05   0.08  -0.10
    19   1     0.07  -0.17   0.09     0.05  -0.26  -0.01    -0.04   0.13   0.01
    20   1    -0.31   0.03  -0.15    -0.25   0.11  -0.07     0.08  -0.03   0.02
    21   1    -0.06   0.11  -0.14    -0.09   0.02  -0.26     0.02  -0.01   0.08
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1466.5217              1467.0641              1480.7037
 Red. masses --      1.0899                 1.0894                 1.1590
 Frc consts  --      1.3811                 1.3815                 1.4972
 IR Inten    --      1.5572                 1.7148                 0.0285
 RamAct Fr= 1--      2.5953                15.8214                 4.4077
  Dep-P Fr= 1--      0.7500                 0.7460                 0.4899
  Dep-U Fr= 1--      0.8571                 0.8546                 0.6576
 Alpha2 Fr= 1--      0.0000                 0.0011                 0.0228
 Beta2  Fr= 1--      0.3708                 2.2534                 0.4831
 AlphaG Fr= 1--      0.0000                 0.0188                -0.0357
 Gamma2 Fr= 1--      1.6260                 0.1120                -0.2694
 Delta2 Fr= 1--     -0.2786                 1.8730                -0.1971
 Raman1 Fr= 1--      10.381                 63.286                 17.631
 ROA1   Fr= 1--     147.178                 70.690                -32.173
 CID1   Fr= 1--      14.177                  1.117                 -1.825
 Raman2 Fr= 1--       4.449                 27.041                  5.797
 ROA2   Fr= 1--      41.252                -12.295                 -4.889
 CID2   Fr= 1--       9.272                 -0.455                 -0.843
 Raman3 Fr= 1--       8.898                 54.081                 11.594
 ROA3   Fr= 1--     147.178                 70.690                -32.173
 CID3   Fr= 1--      16.540                  1.307                 -2.775
 RC180  Fr= 1--       0.714                  0.709                  0.315
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.04   0.05
     2   6    -0.00  -0.00  -0.01    -0.00  -0.01  -0.01    -0.03   0.02  -0.00
     3   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.02   0.00
     4   6    -0.03  -0.02  -0.03    -0.03  -0.02  -0.03    -0.01  -0.00  -0.01
     5   6    -0.00  -0.04  -0.02    -0.00  -0.04  -0.02    -0.00   0.01   0.00
     6   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.01  -0.04  -0.05
     7   6    -0.00   0.00  -0.01     0.00  -0.01   0.01     0.03   0.02   0.00
     8   6    -0.00   0.04  -0.02     0.00  -0.04   0.02     0.00   0.01  -0.00
     9   6    -0.03   0.02  -0.03     0.03  -0.02   0.03     0.01  -0.00   0.01
    10   1    -0.00  -0.00   0.03    -0.01   0.00   0.01    -0.03   0.03  -0.43
    11   1    -0.00  -0.03   0.01     0.00  -0.02   0.00     0.13   0.39  -0.11
    12   1     0.32   0.17   0.05     0.30   0.16   0.05     0.17   0.08   0.03
    13   1     0.08   0.02   0.35     0.07   0.02   0.33     0.06  -0.01   0.19
    14   1    -0.12   0.19   0.25    -0.14   0.20   0.27     0.07  -0.09  -0.11
    15   1     0.10   0.32  -0.03     0.10   0.35  -0.04    -0.03  -0.16   0.03
    16   1    -0.00   0.03   0.01    -0.00  -0.02  -0.00    -0.13   0.39   0.11
    17   1    -0.00   0.00   0.04     0.01   0.00  -0.01     0.03   0.03   0.43
    18   1    -0.13  -0.19   0.26     0.14   0.20  -0.27    -0.07  -0.09   0.11
    19   1     0.10  -0.32  -0.03    -0.10   0.34   0.04     0.03  -0.16  -0.03
    20   1     0.32  -0.17   0.05    -0.30   0.16  -0.04    -0.17   0.08  -0.03
    21   1     0.08  -0.02   0.36    -0.07   0.02  -0.33    -0.06  -0.01  -0.19
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1492.7743              1536.1198              1653.5693
 Red. masses --      1.2224                 2.6872                 9.3190
 Frc consts  --      1.6050                 3.7360                15.0129
 IR Inten    --      0.7508                 0.0817                 0.3581
 RamAct Fr= 1--      0.3102                 5.2094                 2.5201
  Dep-P Fr= 1--      0.7500                 0.1606                 0.7500
  Dep-U Fr= 1--      0.8571                 0.2767                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0784                 0.0000
 Beta2  Fr= 1--      0.0443                 0.2402                 0.3600
 AlphaG Fr= 1--     -0.0000                -0.0583                -0.0000
 Gamma2 Fr= 1--      0.0513                 0.3675                -0.2452
 Delta2 Fr= 1--      0.0287                -0.1216                 1.4766
 Raman1 Fr= 1--       1.241                 20.837                 10.080
 ROA1   Fr= 1--       5.847                 31.385                 23.715
 CID1   Fr= 1--       4.712                  1.506                  2.353
 Raman2 Fr= 1--       0.532                  2.883                  4.320
 ROA2   Fr= 1--       1.002                  9.792                -17.696
 CID2   Fr= 1--       1.884                  3.397                 -4.096
 Raman3 Fr= 1--       1.064                  5.766                  8.640
 ROA3   Fr= 1--       5.847                 31.385                 23.715
 CID3   Fr= 1--       5.498                  5.443                  2.745
 RC180  Fr= 1--       0.714                 -0.447                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.03     0.00  -0.05   0.05    -0.03  -0.12   0.15
     2   6     0.00   0.01  -0.01    -0.15   0.12  -0.06    -0.33   0.23  -0.08
     3   6    -0.05  -0.00   0.02    -0.00  -0.03   0.00     0.48   0.00  -0.21
     4   6     0.04   0.01   0.04     0.09   0.02   0.08     0.09   0.02   0.08
     5   6     0.01  -0.06  -0.02     0.02  -0.11  -0.04     0.03  -0.11  -0.04
     6   6     0.01  -0.02  -0.03    -0.00  -0.05  -0.05    -0.03   0.12   0.15
     7   6     0.00  -0.01  -0.01     0.15   0.12   0.06    -0.33  -0.23  -0.08
     8   6     0.01   0.06  -0.02    -0.02  -0.11   0.04     0.03   0.11  -0.04
     9   6     0.04  -0.01   0.04    -0.09   0.02  -0.08     0.09  -0.02   0.08
    10   1     0.04  -0.01   0.16     0.00  -0.03  -0.14    -0.07  -0.08  -0.14
    11   1    -0.04  -0.15   0.04     0.07   0.12  -0.01     0.07   0.16   0.06
    12   1    -0.29  -0.14  -0.03    -0.27  -0.14   0.01    -0.09  -0.07   0.05
    13   1    -0.07  -0.00  -0.32    -0.01  -0.00  -0.31     0.06  -0.01  -0.10
    14   1    -0.14   0.18   0.25    -0.14   0.13   0.25    -0.06   0.00   0.11
    15   1     0.09   0.32  -0.05     0.12   0.28  -0.07     0.09   0.06  -0.04
    16   1    -0.04   0.15   0.04    -0.07   0.12   0.01     0.07  -0.16   0.06
    17   1     0.04   0.01   0.16    -0.00  -0.03   0.14    -0.07   0.08  -0.14
    18   1    -0.14  -0.18   0.25     0.14   0.13  -0.25    -0.06  -0.00   0.11
    19   1     0.09  -0.32  -0.05    -0.12   0.28   0.07     0.09  -0.06  -0.04
    20   1    -0.29   0.14  -0.03     0.27  -0.14  -0.01    -0.09   0.07   0.05
    21   1    -0.07   0.00  -0.32     0.01  -0.00   0.31     0.06   0.01  -0.10
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3099.5500              3099.6413              3115.5248
 Red. masses --      1.0520                 1.0517                 1.0498
 Frc consts  --      5.9550                 5.9532                 6.0039
 IR Inten    --     32.9646                19.6260                35.9282
 RamAct Fr= 1--     25.4837               312.9702                22.6242
  Dep-P Fr= 1--      0.7406                 0.0309                 0.7480
  Dep-U Fr= 1--      0.8510                 0.0599                 0.8558
 Alpha2 Fr= 1--      0.0041                 6.4687                 0.0008
 Beta2  Fr= 1--      3.6143                 3.1257                 3.2271
 AlphaG Fr= 1--     -0.0005                -0.8534                 0.0006
 Gamma2 Fr= 1--    -25.3199                22.1336               -12.5736
 Delta2 Fr= 1--      1.3863                 6.1124               -12.4905
 Raman1 Fr= 1--     101.935               1251.881                 90.497
 ROA1   Fr= 1--   -2386.345               2320.420              -1606.762
 CID1   Fr= 1--     -23.410                  1.854                -17.755
 Raman2 Fr= 1--      43.371                 37.508                 38.725
 ROA2   Fr= 1--    -618.767                482.306               -201.842
 CID2   Fr= 1--     -14.267                 12.859                 -5.212
 Raman3 Fr= 1--      86.742                 75.016                 77.451
 ROA3   Fr= 1--   -2386.345               2320.420              -1606.762
 CID3   Fr= 1--     -27.511                 30.932                -20.746
 RC180  Fr= 1--       0.702                 -0.880                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.03  -0.04    -0.01  -0.03   0.04     0.00   0.00  -0.00
     2   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     3   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     4   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.03  -0.01  -0.03
     5   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.02  -0.01
     6   6     0.00  -0.03  -0.04     0.01  -0.03  -0.04     0.00  -0.00  -0.00
     7   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     8   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.02  -0.01
     9   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.02   0.01  -0.03
    10   1    -0.18  -0.46  -0.06     0.18   0.44   0.06    -0.00  -0.00  -0.00
    11   1     0.12   0.15   0.49    -0.12  -0.14  -0.46     0.00   0.00   0.00
    12   1    -0.00   0.00  -0.00     0.00   0.00  -0.01    -0.07  -0.07   0.44
    13   1    -0.00   0.00  -0.00    -0.01  -0.00   0.00     0.37   0.19  -0.12
    14   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.12   0.20  -0.11
    15   1     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.14   0.05   0.21
    16   1     0.12  -0.14   0.46     0.12  -0.15   0.49     0.00  -0.00   0.00
    17   1    -0.17   0.44  -0.06    -0.18   0.46  -0.06    -0.00   0.00  -0.00
    18   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.11  -0.19  -0.11
    19   1     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.13  -0.05   0.20
    20   1    -0.00  -0.00  -0.00    -0.00   0.00   0.01    -0.06   0.06   0.42
    21   1    -0.00   0.00  -0.00     0.01  -0.00  -0.00     0.35  -0.18  -0.11
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3115.7149              3117.8851              3119.5406
 Red. masses --      1.0503                 1.0557                 1.0554
 Frc consts  --      6.0075                 6.0468                 6.0511
 IR Inten    --     10.5098                22.2131                24.0314
 RamAct Fr= 1--    167.5389                 0.8404               462.4579
  Dep-P Fr= 1--      0.2425                 0.4709                 0.0159
  Dep-U Fr= 1--      0.3904                 0.6403                 0.0313
 Alpha2 Fr= 1--      2.0275                 0.0047                 9.9016
 Beta2  Fr= 1--     10.9001                 0.0897                 2.4124
 AlphaG Fr= 1--      1.0252                 0.0006                 0.6198
 Gamma2 Fr= 1--     18.8636                 1.8657                -6.5889
 Delta2 Fr= 1--      6.4606                 1.7694                 6.2502
 Raman1 Fr= 1--     670.156                  3.361               1849.832
 ROA1   Fr= 1--    2017.643                235.724               -432.526
 CID1   Fr= 1--       3.011                 70.125                 -0.234
 Raman2 Fr= 1--     130.801                  1.076                 28.949
 ROA2   Fr= 1--     401.040                 30.621               -208.135
 CID2   Fr= 1--       3.066                 28.455                 -7.190
 Raman3 Fr= 1--     261.603                  2.152                 57.898
 ROA3   Fr= 1--    2017.643                235.724               -432.526
 CID3   Fr= 1--       7.713                109.525                 -7.470
 RC180  Fr= 1--      -0.219                  0.281                 -0.937
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     2   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     3   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     4   6     0.03   0.01   0.03     0.02   0.01   0.02    -0.01  -0.01  -0.01
     5   6    -0.00   0.01   0.01     0.00  -0.04  -0.02    -0.00   0.04   0.02
     6   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     7   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     8   6     0.00   0.02  -0.01     0.00   0.04  -0.01     0.00   0.04  -0.02
     9   6    -0.03   0.01  -0.03     0.02  -0.01   0.02     0.01  -0.01   0.01
    10   1    -0.00  -0.01  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    11   1     0.00   0.00   0.01     0.00   0.00   0.00    -0.00   0.00  -0.00
    12   1     0.07   0.07  -0.44     0.04   0.04  -0.26    -0.03  -0.03   0.19
    13   1    -0.37  -0.19   0.12    -0.21  -0.11   0.07     0.16   0.08  -0.05
    14   1    -0.09  -0.15   0.08     0.20   0.34  -0.19    -0.20  -0.34   0.19
    15   1     0.10  -0.04  -0.16    -0.24   0.08   0.36     0.25  -0.08  -0.38
    16   1    -0.00   0.00  -0.01     0.00  -0.00   0.00     0.00   0.00   0.00
    17   1     0.00  -0.01   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    18   1     0.09  -0.15  -0.09     0.19  -0.33  -0.18     0.21  -0.35  -0.20
    19   1    -0.11  -0.04   0.17    -0.23  -0.08   0.35    -0.26  -0.09   0.39
    20   1    -0.07   0.07   0.47     0.04  -0.04  -0.24     0.03  -0.03  -0.20
    21   1     0.39  -0.21  -0.13    -0.20   0.11   0.07    -0.17   0.09   0.06
                     52                     53                     54
                      A                      A                      A
 Frequencies --   3178.8062              3179.3213              3188.6161
 Red. masses --      1.1177                 1.1167                 1.1189
 Frc consts  --      6.6541                 6.6508                 6.7027
 IR Inten    --     11.5452                 9.6999                 0.1028
 RamAct Fr= 1--    139.2644                30.4512                59.7343
  Dep-P Fr= 1--      0.7317                 0.7500                 0.7500
  Dep-U Fr= 1--      0.8451                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0435                 0.0000                 0.0000
 Beta2  Fr= 1--     19.6153                 4.3502                 8.5335
 AlphaG Fr= 1--     -0.0487                -0.0000                 0.0000
 Gamma2 Fr= 1--      6.3485               -17.6729                30.9197
 Delta2 Fr= 1--     -4.9263                -1.4566                46.1569
 Raman1 Fr= 1--     557.058                121.805                238.937
 ROA1   Fr= 1--     451.816              -1743.207               4445.316
 CID1   Fr= 1--       0.811                -14.311                 18.605
 Raman2 Fr= 1--     235.384                 52.202                102.402
 ROA2   Fr= 1--     191.774               -412.496                372.819
 CID2   Fr= 1--       0.815                 -7.902                  3.641
 Raman3 Fr= 1--     470.768                104.404                204.803
 ROA3   Fr= 1--     451.816              -1743.207               4445.316
 CID3   Fr= 1--       0.960                -16.697                 21.705
 RC180  Fr= 1--       0.690                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.05  -0.04     0.02   0.05   0.04    -0.00  -0.00  -0.00
     2   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     4   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.03   0.02  -0.04
     5   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.03  -0.02   0.04
     6   6     0.02  -0.05   0.04     0.02  -0.05   0.04    -0.00   0.00  -0.00
     7   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     8   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.03   0.02   0.03
     9   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.03  -0.02  -0.04
    10   1     0.19   0.47   0.05    -0.19  -0.47  -0.05     0.01   0.03   0.00
    11   1     0.11   0.13   0.45    -0.11  -0.13  -0.45     0.01   0.01   0.03
    12   1     0.00   0.00  -0.01    -0.00  -0.00   0.02    -0.04  -0.05   0.36
    13   1     0.01   0.00  -0.00    -0.02  -0.01   0.01    -0.33  -0.17   0.10
    14   1    -0.01  -0.01   0.00     0.01   0.01  -0.01     0.15   0.27  -0.14
    15   1    -0.01   0.00   0.01     0.01  -0.00  -0.01     0.18  -0.07  -0.28
    16   1    -0.11   0.13  -0.45    -0.11   0.13  -0.45     0.01  -0.01   0.03
    17   1    -0.19   0.47  -0.05    -0.19   0.47  -0.05     0.01  -0.03   0.00
    18   1     0.01  -0.01  -0.00     0.01  -0.01  -0.01     0.15  -0.26  -0.14
    19   1     0.01   0.00  -0.01     0.01   0.00  -0.01     0.18   0.07  -0.27
    20   1    -0.00   0.00   0.01    -0.00   0.00   0.02    -0.04   0.05   0.35
    21   1    -0.01   0.00   0.00    -0.02   0.01   0.01    -0.32   0.16   0.09
                     55                     56                     57
                      A                      A                      A
 Frequencies --   3189.3494              3202.4768              3203.3691
 Red. masses --      1.1190                 1.1163                 1.1163
 Frc consts  --      6.7064                 6.7451                 6.7490
 IR Inten    --      0.0902                35.7568                 4.1702
 RamAct Fr= 1--    104.2159                31.6068               108.0068
  Dep-P Fr= 1--      0.7466                 0.7498                 0.6851
  Dep-U Fr= 1--      0.8549                 0.8570                 0.8131
 Alpha2 Fr= 1--      0.0060                 0.0001                 0.1233
 Beta2  Fr= 1--     14.8492                 4.5146                14.6372
 AlphaG Fr= 1--      0.1408                -0.0002                -0.3728
 Gamma2 Fr= 1--    -20.2424                10.4952               -14.2752
 Delta2 Fr= 1--    -40.3862                 1.6292                -8.4233
 Raman1 Fr= 1--     416.864                126.427                432.027
 ROA1   Fr= 1--   -3235.632               1059.679              -1639.970
 CID1   Fr= 1--      -7.762                  8.382                 -3.796
 Raman2 Fr= 1--     178.190                 54.175                175.646
 ROA2   Fr= 1--    -162.729                238.852               -275.219
 CID2   Fr= 1--      -0.913                  4.409                 -1.567
 Raman3 Fr= 1--     356.380                108.349                351.293
 ROA3   Fr= 1--   -3235.632               1059.679              -1639.970
 CID3   Fr= 1--      -9.079                  9.780                 -4.668
 RC180  Fr= 1--       0.710                  0.714                  0.626
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     2   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     4   6    -0.03  -0.02   0.04     0.03   0.02  -0.04    -0.03  -0.02   0.03
     5   6     0.03   0.02  -0.03     0.03   0.02  -0.04    -0.03  -0.02   0.04
     6   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     7   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     8   6    -0.03   0.02   0.03     0.03  -0.02  -0.04     0.03  -0.02  -0.04
     9   6     0.03  -0.02  -0.04     0.03  -0.02  -0.03     0.03  -0.02  -0.03
    10   1    -0.00  -0.01  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    11   1    -0.00  -0.00  -0.01     0.00  -0.00   0.00     0.00   0.00   0.00
    12   1     0.05   0.05  -0.36    -0.04  -0.04   0.33     0.04   0.04  -0.29
    13   1     0.33   0.17  -0.10    -0.30  -0.16   0.09     0.27   0.14  -0.08
    14   1    -0.14  -0.25   0.13    -0.17  -0.30   0.15     0.17   0.30  -0.16
    15   1    -0.16   0.06   0.24    -0.20   0.08   0.31     0.19  -0.08  -0.30
    16   1     0.00  -0.00   0.01     0.00   0.00   0.00    -0.00   0.00  -0.00
    17   1     0.00  -0.01   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    18   1     0.15  -0.26  -0.14    -0.16   0.28   0.15    -0.18   0.32   0.17
    19   1     0.17   0.06  -0.25    -0.19  -0.08   0.29    -0.21  -0.08   0.32
    20   1    -0.05   0.05   0.38    -0.04   0.04   0.32    -0.04   0.04   0.31
    21   1    -0.35   0.18   0.10    -0.28   0.15   0.08    -0.28   0.15   0.08

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Molecular mass:   120.09390 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   570.081161550.720471674.13617
           X            1.00000  -0.00000   0.00147
           Y            0.00000   1.00000   0.00001
           Z           -0.00147  -0.00001   1.00000
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.15193     0.05585     0.05174
 Rotational constants (GHZ):           3.16576     1.16381     1.07801
 Zero-point vibrational energy     476933.7 (Joules/Mol)
                                  113.98989 (Kcal/Mol)
 Warning -- explicit consideration of  10 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    134.36   182.89   196.74   351.05   375.60
          (Kelvin)            445.58   578.64   612.88   663.73   814.25
                              899.12   951.58  1138.85  1145.25  1239.69
                             1240.27  1261.42  1304.13  1335.80  1343.23
                             1390.30  1431.03  1455.42  1488.19  1519.27
                             1531.78  1545.09  1552.25  1553.06  1589.87
                             1613.63  1627.32  1684.37  1695.60  1695.66
                             1709.58  1797.15  2049.41  2091.80  2110.00
                             2110.78  2130.40  2147.77  2210.13  2379.12
                             4459.56  4459.69  4482.55  4482.82  4485.94
                             4488.32  4573.59  4574.33  4587.71  4588.76
                             4607.65  4608.93
 
 Zero-point correction=                           0.181654 (Hartree/Particle)
 Thermal correction to Energy=                    0.190239
 Thermal correction to Enthalpy=                  0.191183
 Thermal correction to Gibbs Free Energy=         0.148598
 Sum of electronic and zero-point Energies=           -350.002429
 Sum of electronic and thermal Energies=              -349.993845
 Sum of electronic and thermal Enthalpies=            -349.992901
 Sum of electronic and thermal Free Energies=         -350.035486
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  119.377             34.007             89.627
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.264
 Rotational               0.889              2.981             28.783
 Vibrational            117.599             28.046             20.580
 Vibration     1          0.602              1.954              3.588
 Vibration     2          0.611              1.926              2.989
 Vibration     3          0.614              1.917              2.849
 Vibration     4          0.659              1.773              1.774
 Vibration     5          0.669              1.744              1.655
 Vibration     6          0.699              1.655              1.364
 Vibration     7          0.768              1.465              0.955
 Vibration     8          0.788              1.414              0.872
 Vibration     9          0.819              1.336              0.762
 Vibration    10          0.922              1.105              0.512
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.446408D-68        -68.350268       -157.382309
 Total V=0       0.160291D+16         15.204909         35.010597
 Vib (Bot)       0.198162D-81        -81.702980       -188.128064
 Vib (Bot)    1  0.220033D+01          0.342487          0.788606
 Vib (Bot)    2  0.160498D+01          0.205469          0.473109
 Vib (Bot)    3  0.148829D+01          0.172688          0.397630
 Vib (Bot)    4  0.802154D+00         -0.095742         -0.220454
 Vib (Bot)    5  0.743632D+00         -0.128642         -0.296209
 Vib (Bot)    6  0.610686D+00         -0.214182         -0.493173
 Vib (Bot)    7  0.442478D+00         -0.354108         -0.815363
 Vib (Bot)    8  0.410320D+00         -0.386877         -0.890817
 Vib (Bot)    9  0.368302D+00         -0.433796         -0.998851
 Vib (Bot)   10  0.273044D+00         -0.563768         -1.298123
 Vib (V=0)       0.711537D+02          1.852198          4.264843
 Vib (V=0)    1  0.275642D+01          0.440346          1.013933
 Vib (V=0)    2  0.218106D+01          0.338667          0.779809
 Vib (V=0)    3  0.207004D+01          0.315978          0.727566
 Vib (V=0)    4  0.144523D+01          0.159936          0.368265
 Vib (V=0)    5  0.139610D+01          0.144915          0.333680
 Vib (V=0)    6  0.128926D+01          0.110342          0.254071
 Vib (V=0)    7  0.116767D+01          0.067321          0.155013
 Vib (V=0)    8  0.114681D+01          0.059491          0.136984
 Vib (V=0)    9  0.112100D+01          0.049607          0.114225
 Vib (V=0)   10  0.106970D+01          0.029260          0.067374
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.517291D+08          7.713735         17.761532
 Rotational      0.435488D+06          5.638976         12.984222
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000002690   -0.000000025   -0.000003013
      2        6          -0.000010787    0.000002749   -0.000006732
      3        6          -0.000008720   -0.000003790    0.000000425
      4        6           0.000000523   -0.000002350    0.000000264
      5        6          -0.000001810   -0.000008512    0.000004790
      6        6           0.000003730    0.000003953    0.000001422
      7        6           0.000003639   -0.000008569    0.000001357
      8        6          -0.000000251    0.000005298    0.000002184
      9        6          -0.000001978    0.000003708   -0.000001924
     10        1          -0.000000622   -0.000001406   -0.000001763
     11        1          -0.000008655    0.000004148   -0.000000368
     12        1           0.000003258   -0.000001417    0.000001135
     13        1           0.000002002   -0.000001139    0.000000197
     14        1           0.000013019    0.000005065   -0.000000252
     15        1           0.000000226    0.000003159   -0.000000979
     16        1           0.000004670   -0.000000735    0.000000630
     17        1           0.000000490    0.000000261    0.000003792
     18        1           0.000000722   -0.000001659    0.000001403
     19        1          -0.000002399    0.000001534   -0.000000159
     20        1          -0.000000664   -0.000002243   -0.000001158
     21        1           0.000000917    0.000001972   -0.000001250
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000013019 RMS     0.000003867
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.121695D+03 -0.363300D-03  0.166135D+01
      2  -0.363300D-03  0.989114D+02  0.909983D-04
      3   0.166135D+01  0.909983D-04  0.934901D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.843122D+01 -0.256777D-03  0.193261D+01
      2  -0.147475D-02 -0.251549D+01  0.385473D-02
      3   0.258628D+02 -0.228386D-03 -0.410544D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.178636D-01 -0.268793D+02 -0.364164D-02
      2   0.566382D-02 -0.834603D+01 -0.112362D-01
      3   0.121998D-01  0.352253D+02  0.148779D-01
      4  -0.289958D+02 -0.106476D-02 -0.102036D+01
      5  -0.268688D-02  0.234495D+01  0.131865D-01
      6  -0.232106D+01 -0.129783D-01  0.174196D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    63 ND12= 1 LenFil=    2271:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.369320D+01  0.345246D+01 -0.572601D+01 -0.980521D+00 -0.340405D+01
      2   0.345246D+01 -0.449472D+01  0.985999D+00 -0.340405D+01 -0.225424D+01
      3  -0.572601D+01  0.985999D+00  0.294864D+01  0.199209D+01 -0.152776D+01
                 6             7             8             9            10 
      1   0.199209D+01 -0.225807D+01 -0.123388D+01  0.205710D+01 -0.582849D-01
      2  -0.152776D+01 -0.123388D+01 -0.295362D+01  0.254931D+01  0.732631D+00
      3   0.350796D+01  0.205710D+01  0.254931D+01  0.231254D+01 -0.147395D+01
                11            12            13            14            15 
      1   0.732631D+00 -0.147395D+01  0.245268D+01 -0.105169D+01 -0.317367D+01
      2   0.975180D-01  0.851826D+00 -0.105169D+01  0.119051D+01  0.132677D+01
      3   0.851826D+00 -0.319985D+00 -0.317367D+01  0.132677D+01 -0.150375D+01
                16            17            18            19            20 
      1  -0.563770D+01 -0.120221D+01  0.129325D+01 -0.118961D-02 -0.589136D+00
      2  -0.120221D+01  0.333208D+01 -0.114266D+01 -0.589136D+00  0.829611D-04
      3   0.129325D+01 -0.114266D+01  0.133173D+00  0.322177D-04 -0.208047D+00
                21            22            23            24            25 
      1   0.322177D-04  0.213663D+01 -0.202734D-02  0.373890D+01  0.539140D-03
      2  -0.208047D+00 -0.202734D-02  0.676431D+00  0.166912D-03  0.542374D+01
      3  -0.314843D-04  0.373890D+01  0.166912D-03 -0.259048D+01  0.232204D-02
                26            27            28            29            30 
      1   0.542374D+01  0.232204D-02  0.105225D+01 -0.354173D+01  0.335134D+01
      2   0.318770D-03 -0.121306D+01 -0.354173D+01 -0.247106D+00 -0.449848D+00
      3  -0.121306D+01 -0.155753D-02  0.335134D+01 -0.449848D+00  0.232582D+01
                31            32            33            34            35 
      1  -0.605602D+01  0.258617D+01 -0.174906D+00  0.472295D+01  0.142163D+01
      2   0.258617D+01  0.257154D+01  0.346854D+01  0.142163D+01  0.212492D+01
      3  -0.174906D+00  0.346854D+01  0.272043D+01  0.970792D+00  0.169232D+01
                36            37            38            39            40 
      1   0.970792D+00  0.149747D+01 -0.322739D+01  0.586944D+00 -0.239305D+01
      2   0.169232D+01 -0.322739D+01  0.313174D+01 -0.356335D+01  0.276553D+01
      3  -0.302031D+01  0.586944D+00 -0.356335D+01 -0.363030D+01 -0.106928D+01
                41            42            43            44            45 
      1   0.276553D+01 -0.106928D+01  0.235641D+01 -0.431097D+01 -0.287228D+01
      2  -0.248944D+01 -0.239789D+01 -0.431097D+01 -0.253137D+01 -0.211944D+00
      3  -0.239789D+01 -0.617620D+00 -0.287228D+01 -0.211944D+00  0.407022D+00
                46            47            48            49            50 
      1  -0.369212D+01  0.344968D+01  0.572557D+01 -0.981096D+00  0.340486D+01
      2   0.344968D+01  0.449425D+01  0.987456D+00  0.340486D+01 -0.225578D+01
      3   0.572557D+01  0.987456D+00 -0.295051D+01  0.199417D+01  0.152486D+01
                51            52            53            54            55 
      1   0.199417D+01  0.225673D+01 -0.123314D+01 -0.205975D+01  0.640779D-01
      2   0.152486D+01 -0.123314D+01  0.295078D+01  0.255036D+01  0.732816D+00
      3   0.350761D+01 -0.205975D+01  0.255036D+01 -0.230862D+01  0.147440D+01
                56            57            58            59            60 
      1   0.732816D+00  0.147440D+01  0.245058D+01  0.105308D+01 -0.317301D+01
      2  -0.984669D-01  0.851416D+00  0.105308D+01  0.119331D+01 -0.132507D+01
      3   0.851416D+00  0.320316D+00 -0.317301D+01 -0.132507D+01 -0.150357D+01
                61            62            63            64            65 
      1   0.563809D+01 -0.120227D+01 -0.129558D+01 -0.149917D+01 -0.323114D+01
      2  -0.120227D+01 -0.333086D+01 -0.114444D+01 -0.323114D+01 -0.312759D+01
      3  -0.129558D+01 -0.114444D+01 -0.134543D+00 -0.586205D+00 -0.356509D+01
                66            67            68            69            70 
      1  -0.586205D+00 -0.239479D+01 -0.276236D+01 -0.107080D+01 -0.235531D+01
      2  -0.356509D+01 -0.276236D+01 -0.249183D+01  0.239874D+01 -0.431170D+01
      3   0.362726D+01 -0.107080D+01  0.239874D+01 -0.614771D+00  0.287019D+01
                71            72            73            74            75 
      1  -0.431170D+01  0.287019D+01 -0.105927D+01 -0.354070D+01 -0.335373D+01
      2   0.253294D+01 -0.207314D+00 -0.354070D+01  0.247942D+00 -0.447446D+00
      3  -0.207314D+00 -0.411214D+00 -0.335373D+01 -0.447446D+00 -0.232268D+01
                76            77            78            79            80 
      1  -0.605421D+01 -0.258691D+01 -0.173214D+00 -0.472543D+01  0.142344D+01
      2  -0.258691D+01  0.257483D+01 -0.346863D+01  0.142344D+01 -0.212533D+01
      3  -0.173214D+00 -0.346863D+01  0.271690D+01 -0.966178D+00  0.168944D+01
                81            82            83            84            85 
      1  -0.966178D+00  0.160723D+01  0.147919D+01 -0.153364D+00  0.294532D+01
      2   0.168944D+01  0.147919D+01  0.333119D+01 -0.857507D+00  0.301938D+01
      3   0.302505D+01 -0.153364D+00 -0.857507D+00  0.383238D+00 -0.978498D+00
                86            87            88            89            90 
      1   0.301938D+01 -0.978498D+00  0.103059D+01  0.313492D-02  0.198373D+00
      2   0.951787D+01 -0.212238D+01  0.313492D-02  0.523070D+00  0.109436D+01
      3  -0.212238D+01  0.178909D+01  0.198373D+00  0.109436D+01 -0.115447D+01
                91            92            93            94            95 
      1  -0.929331D+00 -0.887683D-01 -0.261937D+00 -0.970741D+00  0.551566D+00
      2  -0.887683D-01  0.196369D+00  0.358823D-01  0.551566D+00  0.444594D+00
      3  -0.261937D+00  0.358823D-01 -0.170489D+01 -0.275716D+00 -0.107727D+01
                96            97            98            99           100 
      1  -0.275716D+00 -0.169044D+01  0.683264D-01 -0.228055D+00  0.801323D+00
      2  -0.107727D+01  0.683264D-01 -0.157183D+01  0.110643D+01  0.619260D+00
      3  -0.184118D+01 -0.228055D+00  0.110643D+01 -0.101007D+02  0.710718D+00
               101           102           103           104           105 
      1   0.619260D+00  0.710718D+00  0.575332D+00  0.272474D+00  0.153628D+00
      2  -0.256914D+00  0.282082D+00  0.272474D+00 -0.600364D+00  0.503391D+00
      3   0.282082D+00 -0.491222D+00  0.153628D+00  0.503391D+00 -0.106730D+01
               106           107           108           109           110 
      1   0.252791D+01 -0.310636D+00  0.269162D+01  0.104974D+02  0.282276D+01
      2  -0.310636D+00  0.117289D+01 -0.708019D+00  0.282276D+01  0.183398D+01
      3   0.269162D+01 -0.708019D+00  0.925422D+01  0.533114D+00  0.197771D+00
               111           112           113           114           115 
      1   0.533114D+00  0.519407D+01  0.184961D+01  0.257084D+00 -0.205879D+01
      2   0.197771D+00  0.184961D+01  0.129543D+01 -0.195686D+00 -0.384032D+00
      3   0.113375D+01  0.257084D+00 -0.195686D+00  0.592944D+00  0.134473D+01
               116           117           118           119           120 
      1  -0.384032D+00  0.134473D+01 -0.114742D+01 -0.467091D+00  0.635489D-01
      2  -0.918459D+00  0.215636D+00 -0.467091D+00 -0.291886D+01  0.976804D+00
      3   0.215636D+00  0.459393D+00  0.635489D-01  0.976804D+00 -0.312249D+00
               121           122           123           124           125 
      1  -0.126524D+01 -0.386527D+00  0.407255D+00  0.796692D+00  0.767885D+00
      2  -0.386527D+00 -0.757513D+01  0.102323D+01  0.767885D+00  0.237522D+01
      3   0.407255D+00  0.102323D+01 -0.124916D+01  0.317495D+00 -0.141431D+01
               126           127           128           129           130 
      1   0.317495D+00  0.329400D+01 -0.148552D+01 -0.212069D+01 -0.569185D+00
      2  -0.141431D+01 -0.148552D+01  0.136280D+01  0.164423D+01  0.114069D+01
      3   0.876692D+00 -0.212069D+01  0.164423D+01  0.280487D+01  0.991931D+00
               131           132           133           134           135 
      1   0.114069D+01  0.991931D+00 -0.405349D+01  0.246862D+01  0.339656D+01
      2  -0.243849D+01 -0.135958D+01  0.246862D+01 -0.267514D+01 -0.257425D+01
      3  -0.135958D+01 -0.103617D+01  0.339656D+01 -0.257425D+01 -0.511711D+01
               136           137           138           139           140 
      1   0.930496D+00 -0.887228D-01  0.262090D+00 -0.971165D+00 -0.551317D+00
      2  -0.887228D-01 -0.195915D+00  0.357864D-01 -0.551317D+00  0.443899D+00
      3   0.262090D+00  0.357864D-01  0.170689D+01 -0.276188D+00  0.107761D+01
               141           142           143           144           145 
      1  -0.276188D+00  0.169027D+01  0.684058D-01  0.230121D+00 -0.160781D+01
      2   0.107761D+01  0.684058D-01  0.157141D+01  0.110473D+01  0.147919D+01
      3  -0.184207D+01  0.230121D+00  0.110473D+01  0.100992D+02  0.153919D+00
               146           147           148           149           150 
      1   0.147919D+01  0.153919D+00  0.294556D+01 -0.301897D+01 -0.979131D+00
      2  -0.333113D+01 -0.858261D+00 -0.301897D+01  0.951565D+01  0.212386D+01
      3  -0.858261D+00 -0.383647D+00 -0.979131D+00  0.212386D+01  0.178976D+01
               151           152           153           154           155 
      1  -0.102951D+01  0.259500D-02 -0.198329D+00  0.114595D+01 -0.466147D+00
      2   0.259500D-02 -0.520851D+00  0.109442D+01 -0.466147D+00  0.291574D+01
      3  -0.198329D+00  0.109442D+01  0.115530D+01 -0.639901D-01  0.977622D+00
               156           157           158           159           160 
      1  -0.639901D-01 -0.126461D+01  0.384628D+00  0.407329D+00 -0.797856D+00
      2   0.977622D+00  0.384628D+00 -0.757440D+01 -0.102632D+01  0.767495D+00
      3   0.312655D+00  0.407329D+00 -0.102632D+01 -0.125007D+01 -0.317260D+00
               161           162           163           164           165 
      1   0.767495D+00 -0.317260D+00 -0.329060D+01 -0.148457D+01  0.211896D+01
      2  -0.237944D+01 -0.141636D+01 -0.148457D+01 -0.136301D+01  0.164433D+01
      3  -0.141636D+01 -0.878783D+00  0.211896D+01  0.164433D+01 -0.280299D+01
               166           167           168           169           170 
      1  -0.569639D+00 -0.114142D+01  0.992431D+00  0.405230D+01  0.246903D+01
      2  -0.114142D+01 -0.244022D+01  0.136004D+01  0.246903D+01  0.267646D+01
      3   0.992431D+00  0.136004D+01 -0.103725D+01 -0.339524D+01 -0.257563D+01
               171           172           173           174           175 
      1  -0.339524D+01 -0.802645D+00  0.619595D+00 -0.711000D+00  0.576216D+00
      2  -0.257563D+01  0.619595D+00  0.256221D+00  0.281659D+00 -0.272761D+00
      3   0.511777D+01 -0.711000D+00  0.281659D+00  0.488540D+00  0.153860D+00
               176           177           178           179           180 
      1  -0.272761D+00  0.153860D+00 -0.252931D+01 -0.310216D+00 -0.269463D+01
      2  -0.599652D+00 -0.503034D+00 -0.310216D+00 -0.117271D+01 -0.705376D+00
      3  -0.503034D+00 -0.106462D+01 -0.269463D+01 -0.705376D+00 -0.925509D+01
               181           182           183           184           185 
      1  -0.104956D+02  0.282332D+01 -0.529758D+00  0.519387D+01 -0.184996D+01
      2   0.282332D+01 -0.183412D+01  0.196692D+00 -0.184996D+01  0.129549D+01
      3  -0.529758D+00  0.196692D+00 -0.113347D+01  0.255729D+00  0.196423D+00
               186           187           188           189 
      1   0.255729D+00  0.206341D+01 -0.385250D+00 -0.134526D+01
      2   0.196423D+00 -0.385250D+00  0.919527D+00  0.216352D+00
      3   0.593304D+00 -0.134526D+01  0.216352D+00 -0.457965D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.413880D+01  0.500153D+01 -0.645827D+01  0.519211D+01  0.826000D+01
      2  -0.222742D+01  0.254591D+01  0.183323D+01  0.459434D+01 -0.768665D+01
      3   0.220441D+00  0.445886D+01 -0.696811D+01  0.641764D+01 -0.300986D+01
                 6             7             8             9            10 
      1  -0.771098D+01 -0.365784D+01  0.395365D+01 -0.917963D+01 -0.124727D+00
      2   0.584082D+01 -0.532488D+01  0.239439D+01  0.595640D+01 -0.108767D+01
      3   0.359929D+01 -0.617262D+01  0.258098D+01  0.944566D+00  0.431434D+01
                11            12            13            14            15 
      1   0.100713D+01  0.255942D+01 -0.209082D+01  0.593523D+00 -0.410798D+01
      2  -0.113847D+00  0.380223D+01 -0.231030D+01  0.238067D+01 -0.559274D+01
      3  -0.797029D+01 -0.163052D+00  0.128524D+02 -0.328122D+01 -0.194768D+01
                16            17            18            19            20 
      1  -0.700543D+01  0.413235D+01  0.152191D+00  0.127409D-02 -0.233049D+01
      2  -0.919505D+01  0.192545D+01  0.240654D+00 -0.364877D+01 -0.854660D-03
      3  -0.653829D+00 -0.670414D+01  0.305013D+01 -0.841641D-03 -0.564403D+01
                21            22            23            24            25 
      1  -0.857077D-04  0.333722D+01 -0.461066D-03 -0.770878D+00 -0.116917D-02
      2   0.673656D+01 -0.101493D-03 -0.619357D+00  0.424809D-03 -0.135888D+02
      3   0.360269D-03  0.141781D+02 -0.300100D-02 -0.449724D+00  0.294060D-03
                26            27            28            29            30 
      1   0.366524D+01  0.214820D-02 -0.363955D+01  0.141637D+01  0.324644D+00
      2  -0.521016D-03  0.966014D+00  0.132305D+02  0.247487D+01  0.901291D+01
      3   0.593764D+01  0.217866D-02  0.963148D+01 -0.302754D+01  0.560353D+00
                31            32            33            34            35 
      1  -0.132448D+01  0.437144D+01  0.857816D+00  0.249072D+01  0.532228D+01
      2   0.449441D+01  0.101957D+02  0.856787D+01 -0.496686D+01  0.428737D+01
      3  -0.338875D+01 -0.964966D+01 -0.102032D+02 -0.313811D+01 -0.922641D+01
                36            37            38            39            40 
      1   0.294585D+01  0.166480D+01 -0.846562D+01 -0.418954D+01 -0.510219D+01
      2  -0.120028D+02 -0.791381D+00 -0.785591D+01 -0.610048D+01 -0.477326D+01
      3  -0.680942D+01  0.835135D+01 -0.825934D+01  0.785458D+01  0.958936D+00
                41            42            43            44            45 
      1  -0.485799D+01 -0.340848D+01 -0.603097D+01  0.575359D+01  0.102233D+01
      2  -0.404362D+01 -0.298354D+01 -0.752936D+01 -0.235220D+01 -0.100151D+01
      3   0.926284D+00  0.102013D+02  0.913290D+01  0.139038D+02  0.726906D+01
                46            47            48            49            50 
      1  -0.414033D+01  0.500054D+01  0.646304D+01  0.519114D+01 -0.825805D+01
      2  -0.222762D+01 -0.254500D+01  0.183468D+01 -0.459405D+01 -0.768444D+01
      3  -0.220747D+00  0.445428D+01  0.696805D+01  0.641343D+01  0.300788D+01
                51            52            53            54            55 
      1  -0.771365D+01  0.366527D+01  0.394842D+01  0.917382D+01  0.124797D+00
      2  -0.584273D+01 -0.532209D+01 -0.239760D+01  0.595480D+01 -0.108835D+01
      3   0.359856D+01  0.617153D+01  0.257984D+01 -0.946914D+00 -0.431303D+01
                56            57            58            59            60 
      1   0.100656D+01 -0.255950D+01 -0.209247D+01 -0.594044D+00 -0.410727D+01
      2   0.114398D+00  0.380250D+01  0.230995D+01  0.237809D+01  0.559211D+01
      3  -0.797135D+01  0.162925D+00  0.128532D+02  0.328589D+01 -0.194375D+01
                61            62            63            64            65 
      1   0.700530D+01  0.413150D+01 -0.150949D+00 -0.166176D+01 -0.846432D+01
      2  -0.919314D+01 -0.192237D+01  0.242767D+00 -0.791752D+00  0.786153D+01
      3   0.654759D+00 -0.670234D+01 -0.305360D+01 -0.835920D+01 -0.824202D+01
                66            67            68            69            70 
      1   0.418619D+01 -0.510124D+01  0.485985D+01 -0.340222D+01  0.602917D+01
      2  -0.609432D+01  0.477637D+01 -0.404888D+01  0.297664D+01 -0.752484D+01
      3  -0.786232D+01  0.974124D+00 -0.939112D+00  0.102079D+02 -0.913704D+01
                71            72            73            74            75 
      1   0.576254D+01 -0.102650D+01  0.363788D+01  0.141577D+01 -0.325481D+00
      2   0.233961D+01 -0.988929D+00  0.132328D+02 -0.248129D+01  0.900070D+01
      3   0.139116D+02 -0.725394D+01 -0.962929D+01 -0.302891D+01 -0.553386D+00
                76            77            78            79            80 
      1  -0.132366D+01 -0.437185D+01  0.855368D+00 -0.249307D+01  0.531913D+01
      2  -0.449796D+01  0.101964D+02 -0.855608D+01 -0.498332D+01 -0.427515D+01
      3  -0.339291D+01  0.966270D+01 -0.102055D+02  0.314147D+01 -0.922785D+01
                81            82            83            84            85 
      1  -0.294255D+01 -0.243319D+01 -0.365752D+01 -0.338587D+00 -0.252068D+01
      2  -0.120147D+02  0.190174D+01  0.914112D+00  0.113417D+01  0.268811D+01
      3   0.679897D+01  0.127502D+01 -0.325460D+01  0.881586D+00  0.447358D+01
                86            87            88            89            90 
      1  -0.107971D+02 -0.236188D+01 -0.350082D+00 -0.133019D+01  0.316762D+00
      2   0.168807D+01  0.152038D+01 -0.190830D+00  0.121309D+01 -0.891261D+00
      3  -0.463175D+01  0.555946D+00  0.127211D+01 -0.160819D+00 -0.679923D+00
                91            92            93            94            95 
      1   0.148639D+01  0.422313D-01  0.300510D+01 -0.330860D+00  0.131281D+01
      2  -0.271740D+01 -0.356148D+00 -0.105762D+01 -0.184749D+01 -0.651437D+00
      3  -0.797302D+00 -0.540692D+00 -0.373884D+00 -0.417294D+00  0.832257D-01
                96            97            98            99           100 
      1   0.316496D+01  0.358662D+00  0.368551D+01  0.134723D+02  0.983608D+00
      2  -0.267400D+01 -0.609808D+01  0.112089D+01 -0.108219D+02  0.239352D+01
      3   0.406375D+00 -0.239210D+01  0.114344D+01 -0.145480D+01 -0.140354D+01
               101           102           103           104           105 
      1  -0.377348D-01  0.289691D+00  0.144514D+00 -0.812010D+00 -0.716862D+00
      2   0.318081D+00 -0.151352D+01 -0.394093D+00  0.147374D+01 -0.338916D+01
      3  -0.158587D+00 -0.110422D+01 -0.205839D+00  0.157698D+01 -0.117864D+01
               106           107           108           109           110 
      1   0.526115D-01  0.419338D+01  0.137524D+01  0.330928D+01  0.178648D+01
      2   0.238904D+01 -0.181788D+01  0.261789D+02 -0.660844D+01 -0.142247D+01
      3   0.675946D+00 -0.377651D+01  0.189684D+01 -0.820847D+01 -0.872521D+01
               111           112           113           114           115 
      1  -0.659657D+00  0.212537D+01  0.116878D+01 -0.112752D+01 -0.482880D+00
      2   0.583232D+01 -0.281136D+01 -0.209485D+01  0.252365D+01  0.444647D+01
      3  -0.749794D+00 -0.327974D+01 -0.426410D+01  0.605327D+00  0.956681D+00
               116           117           118           119           120 
      1   0.341962D+00  0.677158D+00  0.942394D+00  0.269179D+01 -0.177501D+01
      2   0.115944D+01  0.357204D+00  0.631776D+00  0.145098D+01 -0.812808D-01
      3   0.271880D+01 -0.617801D+00  0.548403D+01  0.791517D+01 -0.308790D+01
               121           122           123           124           125 
      1   0.585277D+00  0.433633D+01 -0.508542D+01  0.358199D+00 -0.235047D+01
      2   0.669922D+00  0.176160D+01 -0.195201D+01 -0.246210D+00 -0.274659D+01
      3   0.611651D+01  0.201162D+02 -0.334126D+01 -0.391299D+01 -0.754841D+01
               126           127           128           129           130 
      1   0.254691D+01 -0.329015D+01  0.138043D+01  0.456541D+01  0.123794D+01
      2   0.139142D+01 -0.248407D+01  0.340133D+01  0.714652D+01  0.157903D+01
      3   0.349054D+01 -0.159455D+01 -0.234618D+01 -0.115398D+01 -0.189015D+00
               131           132           133           134           135 
      1  -0.700548D+00 -0.249488D+01  0.427623D+01 -0.802884D+00 -0.781933D+01
      2  -0.271291D+01 -0.256428D+01  0.308256D+01 -0.442262D+01 -0.103045D+02
      3   0.499786D+01  0.194055D+01  0.293880D+00  0.409984D+01  0.143312D+01
               136           137           138           139           140 
      1  -0.148725D+01  0.440633D-01 -0.300771D+01 -0.329895D+00 -0.131409D+01
      2  -0.272059D+01  0.356188D+00 -0.105981D+01  0.184944D+01 -0.651988D+00
      3   0.798293D+00 -0.540197D+00  0.374184D+00 -0.417091D+00 -0.835299D-01
               141           142           143           144           145 
      1   0.316617D+01 -0.361629D+00  0.368814D+01 -0.134678D+02  0.243318D+01
      2   0.267537D+01 -0.610105D+01 -0.111892D+01 -0.108210D+02  0.190245D+01
      3   0.405831D+00  0.239064D+01  0.114191D+01  0.145504D+01 -0.127548D+01
               146           147           148           149           150 
      1  -0.365807D+01  0.337842D+00 -0.252013D+01  0.107956D+02 -0.235912D+01
      2  -0.913816D+00  0.113396D+01 -0.268903D+01  0.168801D+01 -0.151978D+01
      3  -0.325424D+01 -0.881917D+00  0.447329D+01  0.462893D+01  0.555968D+00
               151           152           153           154           155 
      1   0.348867D+00 -0.132667D+01 -0.317681D+00 -0.942363D+00  0.269001D+01
      2  -0.192039D+00 -0.121234D+01 -0.892089D+00  0.634440D+00 -0.145361D+01
      3  -0.127088D+01 -0.159419D+00  0.680040D+00 -0.547662D+01  0.790575D+01
               156           157           158           159           160 
      1   0.177460D+01  0.584588D+00 -0.433627D+01 -0.508744D+01 -0.358276D+00
      2  -0.828055D-01 -0.672211D+00  0.176952D+01  0.195511D+01 -0.247734D+00
      3   0.309091D+01  0.611016D+01 -0.201114D+02 -0.334954D+01  0.391509D+01
               161           162           163           164           165 
      1  -0.235392D+01 -0.255192D+01  0.328845D+01  0.138191D+01 -0.456353D+01
      2   0.275182D+01  0.139558D+01 -0.248334D+01 -0.340268D+01  0.714308D+01
      3  -0.755894D+01 -0.349665D+01  0.159267D+01 -0.234733D+01  0.115679D+01
               166           167           168           169           170 
      1   0.123896D+01  0.701439D+00 -0.249748D+01 -0.427586D+01 -0.805863D+00
      2  -0.157945D+01 -0.271369D+01  0.256662D+01  0.308132D+01  0.442609D+01
      3  -0.189602D+00 -0.500092D+01  0.194066D+01 -0.292304D+00  0.410129D+01
               171           172           173           174           175 
      1   0.782219D+01 -0.983390D+00 -0.360322D-01 -0.290141D+00  0.144590D+00
      2  -0.103074D+02  0.239207D+01 -0.316753D+00 -0.150485D+01  0.394622D+00
      3  -0.143751D+01  0.140509D+01 -0.160925D+00  0.110280D+01 -0.206642D+00
               176           177           178           179           180 
      1   0.810766D+00 -0.716132D+00 -0.527264D-01  0.419353D+01 -0.137281D+01
      2   0.147231D+01  0.338139D+01  0.239856D+01  0.181064D+01  0.261819D+02
      3  -0.157518D+01 -0.117752D+01 -0.676508D+00 -0.377720D+01 -0.188955D+01
               181           182           183           184           185 
      1  -0.330814D+01  0.178497D+01  0.661585D+00  0.212500D+01 -0.116819D+01
      2  -0.661272D+01  0.142503D+01  0.583422D+01  0.281312D+01 -0.209634D+01
      3   0.820653D+01 -0.872516D+01  0.745995D+00 -0.327915D+01  0.426370D+01
               186           187           188           189 
      1  -0.112852D+01  0.484730D+00  0.341303D+00 -0.677673D+00
      2  -0.252607D+01  0.445103D+01 -0.116243D+01  0.352074D+00
      3   0.607451D+00 -0.958934D+00  0.272290D+01  0.619593D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.888096D+01  0.157392D+02 -0.539830D+01  0.717610D+01 -0.377234D+01
      2  -0.140927D+01 -0.187579D+02  0.127387D+02 -0.110615D+02 -0.144451D+02
      3   0.102902D+02  0.301873D+01 -0.734038D+01  0.388542D+01  0.182174D+02
      4   0.766951D+01 -0.498492D+01 -0.422382D+01 -0.826107D+01 -0.162593D+02
      5  -0.151292D+02 -0.258897D+01  0.135037D+02  0.137162D+01  0.259630D+01
      6  -0.167533D+02  0.827500D+01  0.258763D+01  0.961842D+01 -0.784971D+00
                 6             7             8             9            10 
      1   0.104730D+02  0.106622D+01  0.711869D+01  0.897564D+01  0.132520D+00
      2   0.448848D+00  0.430182D+01 -0.369796D+01  0.129022D+02 -0.163973D+01
      3  -0.109219D+02 -0.536803D+01 -0.342073D+01 -0.218779D+02  0.150721D+01
      4   0.489429D+00 -0.727473D+01 -0.460517D+01  0.843667D+01  0.389405D+01
      5   0.378102D+01  0.107204D+02  0.591141D+01 -0.394640D+01 -0.127032D+02
      6   0.818638D+01  0.539677D+01  0.888952D+01 -0.562159D+01  0.219869D+01
                11            12            13            14            15 
      1   0.475947D+00 -0.575833D+01 -0.183634D+01 -0.907456D+00 -0.656587D+01
      2   0.241876D+01  0.224708D+01  0.515147D+01 -0.119498D+01  0.260820D+01
      3  -0.289471D+01  0.351125D+01 -0.331513D+01  0.210243D+01  0.395767D+01
      4  -0.139144D+01  0.491622D+01 -0.717077D+01  0.911287D+01  0.257239D+01
      5   0.650148D+01 -0.183441D+01 -0.299621D+01  0.102258D+01 -0.315782D+01
      6  -0.208164D+01  0.149355D+01 -0.438714D+01  0.212078D+01 -0.557676D+00
                16            17            18            19            20 
      1  -0.116939D+02 -0.394735D+01 -0.363134D+00 -0.447691D+01 -0.182006D-02
      2   0.643894D+01  0.233705D+01 -0.260271D+01  0.682626D+01 -0.331181D-03
      3   0.525500D+01  0.161029D+01  0.296585D+01 -0.234936D+01  0.215124D-02
      4   0.119331D+01  0.725715D+01 -0.225776D+01 -0.414770D-02 -0.523933D+00
      5  -0.160691D+01 -0.133505D+01  0.324823D-01  0.137766D+02  0.107828D-02
      6   0.554390D+01 -0.170935D+01  0.192010D+01  0.320911D-02  0.246520D+01
                21            22            23            24            25 
      1   0.166495D+01 -0.115511D-02 -0.116544D+01  0.220945D-02 -0.556715D+01
      2  -0.372939D+01 -0.215523D-02  0.373019D+01 -0.103388D-02  0.513219D+00
      3   0.206444D+01  0.331034D-02 -0.256475D+01 -0.117557D-02  0.505393D+01
      4   0.201167D-02 -0.422996D+01  0.159225D-02  0.867585D+00  0.453144D-02
      5  -0.861628D+01  0.603310D-02  0.598014D+00  0.412517D-03 -0.164109D+02
      6  -0.336315D-03  0.798493D+01  0.634244D-03 -0.320291D+01  0.152257D-02
                26            27            28            29            30 
      1  -0.377706D-03 -0.283857D+01 -0.759372D+01 -0.193666D+02  0.173258D+02
      2   0.108246D-02  0.168499D+01 -0.118695D+01  0.889401D+01 -0.101877D+02
      3  -0.704755D-03  0.115359D+01  0.878067D+01  0.104726D+02 -0.713803D+01
      4   0.112338D+01 -0.394058D-03 -0.253180D+02 -0.152789D+01 -0.407680D+01
      5  -0.753400D-03  0.584435D+01  0.235566D+02 -0.474337D+01  0.149332D+02
      6  -0.214988D+01 -0.210178D-02 -0.589710D+01  0.625745D+00 -0.325010D+01
                31            32            33            34            35 
      1  -0.301605D+02  0.715328D+01 -0.273555D+00  0.291663D+02  0.329112D+01
      2   0.137474D+02 -0.746569D+01 -0.363683D+01 -0.133617D+02 -0.544754D+01
      3   0.164131D+02  0.312408D+00  0.391038D+01 -0.158045D+02  0.215642D+01
      4   0.832227D+01  0.141358D+02  0.166018D+02  0.301385D+01  0.117436D+02
      5  -0.511529D+01  0.187525D+02  0.117432D+02  0.105277D+02  0.745123D+01
      6  -0.142005D+00  0.259887D+01  0.174321D+01 -0.231449D+01  0.181819D+01
                36            37            38            39            40 
      1   0.186728D+02 -0.231900D+00 -0.662937D+01 -0.711981D+01 -0.436158D+01
      2   0.124756D+01  0.810438D+01 -0.778281D+01  0.538711D+01 -0.767800D+01
      3  -0.199204D+02 -0.787248D+01  0.144122D+02  0.173270D+01  0.120396D+02
      4   0.623909D+01 -0.119121D+02  0.137074D+02 -0.134247D+02  0.169596D+02
      5  -0.123086D+02  0.554996D+01 -0.155680D+02 -0.171402D+02 -0.665065D+01
      6   0.352661D+01  0.153566D+00  0.860499D+01  0.949005D+01  0.522247D+01
                41            42            43            44            45 
      1   0.109751D+02 -0.109118D+02 -0.490516D+00 -0.211958D+02 -0.132354D+02
      2  -0.280539D+01  0.125658D+02  0.220993D+01  0.179236D+02  0.959455D+01
      3  -0.816971D+01 -0.165400D+01 -0.171941D+01  0.327223D+01  0.364087D+01
      4  -0.219321D+02 -0.405647D+01 -0.182166D+02 -0.298124D+01  0.475031D+01
      5  -0.785650D+01 -0.410849D+00 -0.151839D+02  0.178904D+01  0.637788D+01
      6   0.645220D+01 -0.121960D+01  0.115767D+02 -0.361676D+01 -0.286382D+01
                46            47            48            49            50 
      1  -0.888201D+01 -0.157348D+02 -0.539315D+01 -0.717895D+01 -0.376643D+01
      2  -0.141692D+01  0.187515D+02  0.127466D+02  0.110568D+02 -0.144441D+02
      3   0.102989D+02 -0.301669D+01 -0.735347D+01 -0.387780D+01  0.182105D+02
      4  -0.765631D+01 -0.498767D+01  0.421757D+01 -0.826391D+01  0.162592D+02
      5  -0.151262D+02  0.258242D+01  0.135049D+02 -0.138156D+01  0.260510D+01
      6   0.167453D+02  0.827933D+01 -0.258450D+01  0.962519D+01  0.770153D+00
                51            52            53            54            55 
      1  -0.104727D+02  0.107478D+01 -0.711806D+01  0.897230D+01  0.115594D+00
      2  -0.456624D+00  0.430921D+01  0.368572D+01  0.128941D+02 -0.163132D+01
      3   0.109293D+02 -0.538399D+01  0.343234D+01 -0.218664D+02  0.151573D+01
      4   0.499143D+00  0.726906D+01 -0.459610D+01 -0.843829D+01 -0.389762D+01
      5  -0.377506D+01  0.107234D+02 -0.591061D+01 -0.396123D+01 -0.127066D+02
      6   0.817878D+01 -0.539774D+01  0.888443D+01  0.563479D+01 -0.219834D+01
                56            57            58            59            60 
      1  -0.477909D+00 -0.575838D+01  0.184021D+01 -0.912332D+00  0.656407D+01
      2  -0.241657D+01  0.224854D+01 -0.515177D+01 -0.119216D+01 -0.260780D+01
      3   0.289448D+01  0.350984D+01  0.331156D+01  0.210449D+01 -0.395627D+01
      4  -0.138805D+01 -0.491572D+01 -0.717364D+01 -0.911916D+01  0.256817D+01
      5  -0.649938D+01 -0.183635D+01  0.299934D+01  0.102007D+01  0.315732D+01
      6  -0.208207D+01 -0.149358D+01 -0.438497D+01 -0.211729D+01 -0.556097D+00
                61            62            63            64            65 
      1  -0.116972D+02  0.394915D+01 -0.355255D+00 -0.227111D+00  0.665434D+01
      2   0.644101D+01 -0.233873D+01 -0.260630D+01  0.810713D+01  0.775660D+01
      3   0.525619D+01 -0.161042D+01  0.296156D+01 -0.788001D+01 -0.144109D+02
      4  -0.119243D+01  0.725418D+01  0.226471D+01  0.119272D+02  0.137012D+02
      5  -0.159722D+01  0.134185D+01  0.382431D-01  0.554077D+01  0.155742D+02
      6  -0.554200D+01 -0.170744D+01 -0.192144D+01 -0.155459D+00  0.861318D+01
                66            67            68            69            70 
      1  -0.712637D+01  0.437748D+01  0.109627D+02  0.109209D+02 -0.498915D+00
      2   0.540011D+01  0.766053D+01 -0.279202D+01 -0.125747D+02  0.222121D+01
      3   0.172626D+01 -0.120380D+02 -0.817064D+01  0.165376D+01 -0.172229D+01
      4   0.134304D+02  0.169527D+02  0.219304D+02 -0.405468D+01  0.182176D+02
      5  -0.171260D+02  0.665604D+01 -0.785589D+01  0.400610D+00 -0.151723D+02
      6  -0.948392D+01  0.522943D+01 -0.645787D+01 -0.123255D+01 -0.115727D+02
                71            72            73            74            75 
      1   0.212028D+02 -0.132111D+02 -0.755549D+01  0.193655D+02  0.173505D+02
      2  -0.179336D+02  0.957535D+01 -0.120784D+01 -0.889158D+01 -0.101946D+02
      3  -0.326923D+01  0.363574D+01  0.876333D+01 -0.104739D+02 -0.715592D+01
      4  -0.298275D+01 -0.476408D+01  0.253139D+02 -0.153322D+01  0.406242D+01
      5  -0.180572D+01  0.639197D+01  0.235839D+02  0.472796D+01  0.149192D+02
      6  -0.363316D+01  0.287298D+01  0.588967D+01  0.624530D+00  0.324438D+01
                76            77            78            79            80 
      1   0.301541D+02  0.715584D+01  0.257802D+00  0.291930D+02 -0.330737D+01
      2  -0.137413D+02 -0.746594D+01  0.363898D+01 -0.133673D+02  0.544870D+01
      3  -0.164128D+02  0.310103D+00 -0.389678D+01 -0.158257D+02 -0.214134D+01
      4   0.832142D+01 -0.141535D+02  0.166024D+02 -0.302763D+01  0.117444D+02
      5   0.509659D+01  0.187532D+02 -0.117309D+02  0.105001D+02 -0.744028D+01
      6  -0.142208D+00 -0.260297D+01  0.174565D+01  0.231024D+01  0.181977D+01
                81            82            83            84            85 
      1   0.186477D+02  0.346010D+01 -0.384635D+01  0.190851D+01 -0.241675D+01
      2   0.126732D+01  0.431678D+01  0.111283D+02 -0.294239D+01  0.104818D+02
      3  -0.199150D+02 -0.777689D+01 -0.728191D+01  0.103387D+01 -0.806503D+01
      4  -0.622806D+01  0.100753D+02  0.175976D+02 -0.331220D+01  0.164177D+02
      5  -0.123432D+02 -0.234595D+01 -0.477816D+01  0.363910D+01 -0.568680D+01
      6  -0.351962D+01 -0.237523D+01 -0.740882D+01  0.361713D+01 -0.800473D+01
                86            87            88            89            90 
      1  -0.232348D+02  0.680133D+01  0.252516D+01  0.592964D+00 -0.549827D+01
      2   0.447980D+02 -0.678046D+01 -0.726854D+00  0.388254D+01  0.180937D+01
      3  -0.215631D+02 -0.208741D-01 -0.179830D+01 -0.447551D+01  0.368890D+01
      4   0.308835D+02 -0.748488D+01  0.180376D+01  0.124071D+01  0.329339D+01
      5  -0.850690D+01  0.519079D+01  0.146980D+01  0.294356D+01 -0.197410D+01
      6  -0.213477D+02  0.116129D+02  0.161845D+01  0.643809D+01 -0.351965D+01
                91            92            93            94            95 
      1  -0.312415D+00 -0.120962D+00 -0.500627D+01 -0.269868D+01 -0.383727D+01
      2  -0.243704D+01  0.109036D+01 -0.339289D+01  0.219038D+01  0.184534D+01
      3   0.274945D+01 -0.969398D+00  0.839916D+01  0.508294D+00  0.199193D+01
      4  -0.102611D+01  0.206851D+01 -0.134521D+01  0.256924D+01  0.193795D+01
      5   0.201913D+01 -0.266606D+00  0.465101D+01  0.167119D+01 -0.187360D+01
      6   0.488280D+00  0.263223D+00 -0.340335D+01 -0.140519D+01 -0.792178D+00
                96            97            98            99           100 
      1  -0.418861D+01 -0.261711D+01  0.564723D+01 -0.319188D+02  0.623587D+01
      2  -0.635390D+01  0.353429D-01 -0.228253D+01 -0.214474D+02 -0.541550D+01
      3   0.105425D+02  0.258177D+01 -0.336470D+01  0.533662D+02 -0.820372D+00
      4  -0.184794D+01 -0.171688D+01 -0.291257D+01  0.817211D+00  0.290798D+01
      5  -0.227143D+01  0.574363D+01  0.136565D+01 -0.105066D+02  0.367845D+01
      6   0.488764D+01 -0.442882D+00  0.884146D+01 -0.163928D+02 -0.182031D+00
               101           102           103           104           105 
      1   0.215355D+01  0.630069D+01  0.395509D+01 -0.261517D+01  0.267054D+01
      2  -0.107790D+01 -0.194786D+01 -0.181806D+01  0.507268D+00  0.790595D+00
      3  -0.107565D+01 -0.435282D+01 -0.213703D+01  0.210790D+01 -0.346113D+01
      4   0.531341D+00  0.479715D+00  0.311631D+01 -0.284436D+01  0.236200D+01
      5   0.121310D+01  0.317908D+01  0.546770D+00  0.219632D+01 -0.490614D+01
      6  -0.806082D+00  0.436063D+00  0.134955D+01 -0.195614D+01  0.644506D+01
               106           107           108           109           110 
      1   0.681118D+01  0.149574D+01 -0.119671D+02  0.774553D+02  0.195233D+02
      2  -0.109710D+02  0.518959D+00 -0.219198D+02 -0.379024D+02 -0.906898D+01
      3   0.415977D+01 -0.201470D+01  0.338869D+02 -0.395529D+02 -0.104543D+02
      4  -0.124786D+01  0.611097D+01 -0.270169D+01  0.232038D+02  0.154140D+02
      5   0.193087D+02 -0.332008D+01  0.466192D+02  0.681967D+01  0.247931D+01
      6  -0.186817D+01  0.587985D+01 -0.686252D+01  0.280345D+01  0.164343D+01
               111           112           113           114           115 
      1   0.209501D+01  0.323623D+02  0.113692D+02  0.125288D+01 -0.143755D+02
      2  -0.241546D+01 -0.144127D+02 -0.238803D+01 -0.153236D+01  0.578398D+01
      3   0.320457D+00 -0.179496D+02 -0.898119D+01  0.279485D+00  0.859153D+01
      4   0.164766D+01  0.173601D+02  0.111279D+02 -0.855753D+00 -0.340032D+01
      5   0.101861D+02  0.406318D+01 -0.947080D+00  0.428419D+01  0.108608D+02
      6   0.682816D+00  0.175266D+01  0.989810D+00  0.174296D+01  0.348229D+00
               116           117           118           119           120 
      1  -0.270225D+01  0.588308D+01 -0.332906D+01 -0.981443D+01  0.234301D+01
      2   0.113235D+01 -0.537674D+01  0.373439D+01  0.143213D+02 -0.270531D+01
      3   0.156991D+01 -0.506344D+00 -0.405334D+00 -0.450684D+01  0.362299D+00
      4  -0.512160D+01  0.213120D+01  0.274457D+01 -0.314853D+01  0.201343D+01
      5   0.214161D+01  0.164234D+01 -0.371997D+00  0.326287D+01  0.383522D+00
      6   0.167898D+01 -0.840475D+00 -0.143935D+01 -0.308646D+01  0.181499D+01
               121           122           123           124           125 
      1  -0.592913D+01 -0.252811D+02  0.487580D+01  0.384089D+01  0.108332D+02
      2   0.492317D+01  0.395743D+02 -0.647282D+01 -0.285883D+01 -0.129623D+02
      3   0.100597D+01 -0.142933D+02  0.159702D+01 -0.982059D+00  0.212915D+01
      4   0.432151D+01 -0.197332D+02  0.153969D+01  0.113730D+01  0.507346D+01
      5   0.197076D+01  0.287444D+01 -0.507633D+01  0.369727D+01 -0.468956D+01
      6  -0.151233D+01 -0.620300D+01  0.721314D+01 -0.662904D+00  0.881035D+01
               126           127           128           129           130 
      1  -0.399039D+01  0.164288D+02 -0.410696D+01 -0.641753D+01 -0.171015D+00
      2   0.390502D+01 -0.101386D+02  0.143493D+01  0.452856D+01 -0.144948D+01
      3   0.853635D-01 -0.629020D+01  0.267203D+01  0.188897D+01  0.162049D+01
      4  -0.374732D+01 -0.138224D+02  0.114532D+02  0.118447D+02  0.932902D+01
      5   0.202919D+01 -0.171337D+02  0.107594D+02  0.195534D+02  0.610078D+01
      6  -0.445622D+01  0.826454D+01 -0.726277D+01 -0.919682D+01 -0.565660D+01
               131           132           133           134           135 
      1  -0.223991D+01  0.774153D+00 -0.120042D+02  0.275260D+01  0.369463D+01
      2   0.565482D+01  0.127785D+01  0.833652D+01 -0.183560D+00 -0.101148D+02
      3  -0.341491D+01 -0.205200D+01  0.366768D+01 -0.256904D+01  0.642017D+01
      4  -0.128090D+02 -0.892513D+01  0.178762D+02 -0.163676D+02 -0.165452D+02
      5  -0.855866D+01 -0.654876D+01  0.235121D+02 -0.154104D+02 -0.300571D+02
      6   0.679703D+01  0.829405D+01 -0.126573D+02  0.135027D+02  0.180133D+02
               136           137           138           139           140 
      1  -0.313446D+00  0.120363D+00 -0.501102D+01  0.270003D+01 -0.383763D+01
      2  -0.243709D+01 -0.108871D+01 -0.339820D+01 -0.218885D+01  0.184377D+01
      3   0.275054D+01  0.968345D+00  0.840922D+01 -0.511182D+00  0.199387D+01
      4   0.102639D+01  0.206706D+01  0.134448D+01  0.256929D+01 -0.193650D+01
      5   0.202268D+01  0.266114D+00  0.465018D+01 -0.167112D+01 -0.187316D+01
      6  -0.488520D+00  0.264133D+00  0.340415D+01 -0.140501D+01  0.789671D+00
               141           142           143           144           145 
      1   0.419305D+01 -0.262119D+01 -0.564115D+01 -0.319175D+02  0.346049D+01
      2   0.635480D+01  0.306905D-01  0.228402D+01 -0.214469D+02  0.431554D+01
      3  -0.105478D+02  0.259050D+01  0.335713D+01  0.533644D+02 -0.777603D+01
      4  -0.184798D+01  0.171541D+01 -0.291068D+01 -0.813685D+00 -0.100763D+02
      5   0.227063D+01  0.574098D+01 -0.136311D+01 -0.104942D+02 -0.234947D+01
      6   0.488852D+01  0.445899D+00  0.883744D+01  0.163762D+02  0.237888D+01
               146           147           148           149           150 
      1   0.384725D+01  0.190903D+01  0.241641D+01 -0.232312D+02 -0.680560D+01
      2  -0.111257D+02 -0.294347D+01 -0.104769D+02  0.447806D+02  0.678494D+01
      3   0.727840D+01  0.103444D+01  0.806046D+01 -0.215494D+02  0.206527D-01
      4   0.175960D+02  0.331617D+01  0.164144D+02 -0.308738D+02 -0.748939D+01
      5   0.478188D+01  0.364101D+01  0.568988D+01 -0.851164D+01 -0.519380D+01
      6  -0.741280D+01 -0.361994D+01 -0.800879D+01  0.213573D+02  0.116182D+02
               151           152           153           154           155 
      1   0.252427D+01 -0.598166D+00 -0.550015D+01 -0.332444D+01  0.980272D+01
      2  -0.728732D+00 -0.387314D+01  0.180879D+01  0.372883D+01 -0.143045D+02
      3  -0.179553D+01  0.447131D+01  0.369136D+01 -0.404387D+00  0.450176D+01
      4  -0.180002D+01  0.123330D+01 -0.329387D+01 -0.274363D+01 -0.314372D+01
      5   0.147016D+01 -0.294450D+01 -0.197598D+01 -0.371850D+00 -0.326368D+01
      6  -0.161949D+01  0.644054D+01  0.352353D+01  0.144187D+01 -0.309257D+01
               156           157           158           159           160 
      1   0.234790D+01  0.592243D+01 -0.252725D+02 -0.488614D+01  0.384502D+01
      2  -0.270952D+01 -0.491364D+01  0.395629D+02  0.648560D+01 -0.286056D+01
      3   0.361619D+00 -0.100879D+01 -0.142904D+02 -0.159946D+01 -0.984460D+00
      4  -0.201378D+01  0.432575D+01  0.197408D+02  0.154857D+01 -0.113345D+01
      5   0.382639D+00 -0.196932D+01  0.288317D+01  0.507975D+01  0.369624D+01
      6  -0.181589D+01 -0.151288D+01  0.622291D+01  0.721913D+01  0.662536D+00
               161           162           163           164           165 
      1  -0.108454D+02 -0.399890D+01  0.164111D+02  0.410181D+01 -0.640978D+01
      2   0.129781D+02  0.391185D+01 -0.101264D+02 -0.142951D+01  0.451877D+01
      3  -0.213265D+01  0.870481D-01 -0.628477D+01 -0.267229D+01  0.189101D+01
      4   0.508738D+01  0.375366D+01  0.138141D+02  0.114531D+02 -0.118431D+02
      5   0.469658D+01  0.203654D+01 -0.171186D+02 -0.107585D+02  0.195411D+02
      6   0.882080D+01  0.446698D+01 -0.826091D+01 -0.726259D+01  0.919289D+01
               166           167           168           169           170 
      1   0.170994D+00 -0.224280D+01 -0.773742D+00 -0.119970D+02 -0.274857D+01
      2   0.145153D+01  0.566042D+01 -0.127859D+01  0.832666D+01  0.179068D+00
      3  -0.162252D+01 -0.341762D+01  0.205233D+01  0.367032D+01  0.256951D+01
      4   0.933244D+01  0.128186D+02 -0.892767D+01 -0.178762D+02 -0.163735D+02
      5  -0.610318D+01 -0.856091D+01  0.655391D+01  0.235018D+02  0.154159D+02
      6  -0.565846D+01 -0.680174D+01  0.829909D+01  0.126565D+02  0.135102D+02
               171           172           173           174           175 
      1   0.368326D+01  0.624246D+01 -0.215769D+01  0.629682D+01 -0.395831D+01
      2  -0.101034D+02 -0.542079D+01  0.107971D+01 -0.195338D+01  0.182050D+01
      3   0.642011D+01 -0.821671D+00  0.107798D+01 -0.434345D+01  0.213781D+01
      4   0.165493D+02 -0.290976D+01  0.534615D+00 -0.479569D+00  0.311807D+01
      5  -0.300550D+02  0.368376D+01 -0.121251D+01  0.319229D+01 -0.548991D+00
      6  -0.180202D+02  0.180934D+00 -0.804189D+00 -0.433092D+00  0.135047D+01
               176           177           178           179           180 
      1  -0.261149D+01 -0.266388D+01  0.681407D+01 -0.148946D+01 -0.119485D+02
      2   0.505223D+00 -0.788807D+00 -0.109809D+02 -0.516233D+00 -0.219316D+02
      3   0.210627D+01  0.345268D+01  0.416679D+01  0.200569D+01  0.338801D+02
      4   0.284157D+01  0.236208D+01  0.124441D+01  0.611211D+01  0.268992D+01
      5   0.219660D+01  0.489403D+01  0.193286D+02  0.330822D+01  0.466395D+02
      6   0.195097D+01  0.644142D+01  0.186513D+01  0.587699D+01  0.684520D+01
               181           182           183           184           185 
      1   0.774448D+02 -0.195275D+02  0.207190D+01 -0.323625D+02  0.113708D+02
      2  -0.378933D+02  0.906930D+01 -0.240286D+01  0.144104D+02 -0.238754D+01
      3  -0.395515D+02  0.104582D+02  0.330963D+00  0.179521D+02 -0.898329D+01
      4  -0.232107D+02  0.154169D+02 -0.163978D+01  0.173643D+02 -0.111296D+02
      5   0.678652D+01 -0.247059D+01  0.101827D+02 -0.404909D+01 -0.954011D+00
      6  -0.279817D+01  0.164121D+01 -0.682099D+00  0.174854D+01 -0.986397D+00
               186           187           188           189 
      1  -0.124403D+01 -0.144057D+02  0.271048D+01  0.588693D+01
      2   0.152844D+01  0.579969D+01 -0.113564D+01 -0.537829D+01
      3  -0.284414D+00  0.860597D+01 -0.157484D+01 -0.508635D+00
      4  -0.861992D+00  0.341068D+01 -0.512939D+01 -0.213510D+01
      5  -0.428474D+01  0.108643D+02 -0.214535D+01  0.163195D+01
      6   0.174282D+01 -0.348569D+00  0.167877D+01  0.840865D+00
 Leave Link  716 at Thu Jul  8 22:04:45 2021, MaxMem= 10737418240 cpu:               1.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.121695D+03 -0.363300D-03  0.166135D+01
      2  -0.363300D-03  0.989114D+02  0.909983D-04
      3   0.166135D+01  0.909983D-04  0.934901D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.843122D+01 -0.256777D-03  0.193261D+01
      2  -0.147475D-02 -0.251549D+01  0.385473D-02
      3   0.258628D+02 -0.228386D-03 -0.410544D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.178636D-01 -0.268793D+02 -0.364164D-02
      2   0.566382D-02 -0.834603D+01 -0.112362D-01
      3   0.121998D-01  0.352253D+02  0.148779D-01
      4  -0.289958D+02 -0.106476D-02 -0.102036D+01
      5  -0.268688D-02  0.234495D+01  0.131865D-01
      6  -0.232106D+01 -0.129783D-01  0.174196D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    63 ND12= 1 LenFil=    2271:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.369320D+01  0.345246D+01 -0.572601D+01 -0.980521D+00 -0.340405D+01
      2   0.345246D+01 -0.449472D+01  0.985999D+00 -0.340405D+01 -0.225424D+01
      3  -0.572601D+01  0.985999D+00  0.294864D+01  0.199209D+01 -0.152776D+01
                 6             7             8             9            10 
      1   0.199209D+01 -0.225807D+01 -0.123388D+01  0.205710D+01 -0.582849D-01
      2  -0.152776D+01 -0.123388D+01 -0.295362D+01  0.254931D+01  0.732631D+00
      3   0.350796D+01  0.205710D+01  0.254931D+01  0.231254D+01 -0.147395D+01
                11            12            13            14            15 
      1   0.732631D+00 -0.147395D+01  0.245268D+01 -0.105169D+01 -0.317367D+01
      2   0.975180D-01  0.851826D+00 -0.105169D+01  0.119051D+01  0.132677D+01
      3   0.851826D+00 -0.319985D+00 -0.317367D+01  0.132677D+01 -0.150375D+01
                16            17            18            19            20 
      1  -0.563770D+01 -0.120221D+01  0.129325D+01 -0.118961D-02 -0.589136D+00
      2  -0.120221D+01  0.333208D+01 -0.114266D+01 -0.589136D+00  0.829611D-04
      3   0.129325D+01 -0.114266D+01  0.133173D+00  0.322177D-04 -0.208047D+00
                21            22            23            24            25 
      1   0.322177D-04  0.213663D+01 -0.202734D-02  0.373890D+01  0.539140D-03
      2  -0.208047D+00 -0.202734D-02  0.676431D+00  0.166912D-03  0.542374D+01
      3  -0.314843D-04  0.373890D+01  0.166912D-03 -0.259048D+01  0.232204D-02
                26            27            28            29            30 
      1   0.542374D+01  0.232204D-02  0.105225D+01 -0.354173D+01  0.335134D+01
      2   0.318770D-03 -0.121306D+01 -0.354173D+01 -0.247106D+00 -0.449848D+00
      3  -0.121306D+01 -0.155753D-02  0.335134D+01 -0.449848D+00  0.232582D+01
                31            32            33            34            35 
      1  -0.605602D+01  0.258617D+01 -0.174906D+00  0.472295D+01  0.142163D+01
      2   0.258617D+01  0.257154D+01  0.346854D+01  0.142163D+01  0.212492D+01
      3  -0.174906D+00  0.346854D+01  0.272043D+01  0.970792D+00  0.169232D+01
                36            37            38            39            40 
      1   0.970792D+00  0.149747D+01 -0.322739D+01  0.586944D+00 -0.239305D+01
      2   0.169232D+01 -0.322739D+01  0.313174D+01 -0.356335D+01  0.276553D+01
      3  -0.302031D+01  0.586944D+00 -0.356335D+01 -0.363030D+01 -0.106928D+01
                41            42            43            44            45 
      1   0.276553D+01 -0.106928D+01  0.235641D+01 -0.431097D+01 -0.287228D+01
      2  -0.248944D+01 -0.239789D+01 -0.431097D+01 -0.253137D+01 -0.211944D+00
      3  -0.239789D+01 -0.617620D+00 -0.287228D+01 -0.211944D+00  0.407022D+00
                46            47            48            49            50 
      1  -0.369212D+01  0.344968D+01  0.572557D+01 -0.981096D+00  0.340486D+01
      2   0.344968D+01  0.449425D+01  0.987456D+00  0.340486D+01 -0.225578D+01
      3   0.572557D+01  0.987456D+00 -0.295051D+01  0.199417D+01  0.152486D+01
                51            52            53            54            55 
      1   0.199417D+01  0.225673D+01 -0.123314D+01 -0.205975D+01  0.640779D-01
      2   0.152486D+01 -0.123314D+01  0.295078D+01  0.255036D+01  0.732816D+00
      3   0.350761D+01 -0.205975D+01  0.255036D+01 -0.230862D+01  0.147440D+01
                56            57            58            59            60 
      1   0.732816D+00  0.147440D+01  0.245058D+01  0.105308D+01 -0.317301D+01
      2  -0.984669D-01  0.851416D+00  0.105308D+01  0.119331D+01 -0.132507D+01
      3   0.851416D+00  0.320316D+00 -0.317301D+01 -0.132507D+01 -0.150357D+01
                61            62            63            64            65 
      1   0.563809D+01 -0.120227D+01 -0.129558D+01 -0.149917D+01 -0.323114D+01
      2  -0.120227D+01 -0.333086D+01 -0.114444D+01 -0.323114D+01 -0.312759D+01
      3  -0.129558D+01 -0.114444D+01 -0.134543D+00 -0.586205D+00 -0.356509D+01
                66            67            68            69            70 
      1  -0.586205D+00 -0.239479D+01 -0.276236D+01 -0.107080D+01 -0.235531D+01
      2  -0.356509D+01 -0.276236D+01 -0.249183D+01  0.239874D+01 -0.431170D+01
      3   0.362726D+01 -0.107080D+01  0.239874D+01 -0.614771D+00  0.287019D+01
                71            72            73            74            75 
      1  -0.431170D+01  0.287019D+01 -0.105927D+01 -0.354070D+01 -0.335373D+01
      2   0.253294D+01 -0.207314D+00 -0.354070D+01  0.247942D+00 -0.447446D+00
      3  -0.207314D+00 -0.411214D+00 -0.335373D+01 -0.447446D+00 -0.232268D+01
                76            77            78            79            80 
      1  -0.605421D+01 -0.258691D+01 -0.173214D+00 -0.472543D+01  0.142344D+01
      2  -0.258691D+01  0.257483D+01 -0.346863D+01  0.142344D+01 -0.212533D+01
      3  -0.173214D+00 -0.346863D+01  0.271690D+01 -0.966178D+00  0.168944D+01
                81            82            83            84            85 
      1  -0.966178D+00  0.160723D+01  0.147919D+01 -0.153364D+00  0.294532D+01
      2   0.168944D+01  0.147919D+01  0.333119D+01 -0.857507D+00  0.301938D+01
      3   0.302505D+01 -0.153364D+00 -0.857507D+00  0.383238D+00 -0.978498D+00
                86            87            88            89            90 
      1   0.301938D+01 -0.978498D+00  0.103059D+01  0.313492D-02  0.198373D+00
      2   0.951787D+01 -0.212238D+01  0.313492D-02  0.523070D+00  0.109436D+01
      3  -0.212238D+01  0.178909D+01  0.198373D+00  0.109436D+01 -0.115447D+01
                91            92            93            94            95 
      1  -0.929331D+00 -0.887683D-01 -0.261937D+00 -0.970741D+00  0.551566D+00
      2  -0.887683D-01  0.196369D+00  0.358823D-01  0.551566D+00  0.444594D+00
      3  -0.261937D+00  0.358823D-01 -0.170489D+01 -0.275716D+00 -0.107727D+01
                96            97            98            99           100 
      1  -0.275716D+00 -0.169044D+01  0.683264D-01 -0.228055D+00  0.801323D+00
      2  -0.107727D+01  0.683264D-01 -0.157183D+01  0.110643D+01  0.619260D+00
      3  -0.184118D+01 -0.228055D+00  0.110643D+01 -0.101007D+02  0.710718D+00
               101           102           103           104           105 
      1   0.619260D+00  0.710718D+00  0.575332D+00  0.272474D+00  0.153628D+00
      2  -0.256914D+00  0.282082D+00  0.272474D+00 -0.600364D+00  0.503391D+00
      3   0.282082D+00 -0.491222D+00  0.153628D+00  0.503391D+00 -0.106730D+01
               106           107           108           109           110 
      1   0.252791D+01 -0.310636D+00  0.269162D+01  0.104974D+02  0.282276D+01
      2  -0.310636D+00  0.117289D+01 -0.708019D+00  0.282276D+01  0.183398D+01
      3   0.269162D+01 -0.708019D+00  0.925422D+01  0.533114D+00  0.197771D+00
               111           112           113           114           115 
      1   0.533114D+00  0.519407D+01  0.184961D+01  0.257084D+00 -0.205879D+01
      2   0.197771D+00  0.184961D+01  0.129543D+01 -0.195686D+00 -0.384032D+00
      3   0.113375D+01  0.257084D+00 -0.195686D+00  0.592944D+00  0.134473D+01
               116           117           118           119           120 
      1  -0.384032D+00  0.134473D+01 -0.114742D+01 -0.467091D+00  0.635489D-01
      2  -0.918459D+00  0.215636D+00 -0.467091D+00 -0.291886D+01  0.976804D+00
      3   0.215636D+00  0.459393D+00  0.635489D-01  0.976804D+00 -0.312249D+00
               121           122           123           124           125 
      1  -0.126524D+01 -0.386527D+00  0.407255D+00  0.796692D+00  0.767885D+00
      2  -0.386527D+00 -0.757513D+01  0.102323D+01  0.767885D+00  0.237522D+01
      3   0.407255D+00  0.102323D+01 -0.124916D+01  0.317495D+00 -0.141431D+01
               126           127           128           129           130 
      1   0.317495D+00  0.329400D+01 -0.148552D+01 -0.212069D+01 -0.569185D+00
      2  -0.141431D+01 -0.148552D+01  0.136280D+01  0.164423D+01  0.114069D+01
      3   0.876692D+00 -0.212069D+01  0.164423D+01  0.280487D+01  0.991931D+00
               131           132           133           134           135 
      1   0.114069D+01  0.991931D+00 -0.405349D+01  0.246862D+01  0.339656D+01
      2  -0.243849D+01 -0.135958D+01  0.246862D+01 -0.267514D+01 -0.257425D+01
      3  -0.135958D+01 -0.103617D+01  0.339656D+01 -0.257425D+01 -0.511711D+01
               136           137           138           139           140 
      1   0.930496D+00 -0.887228D-01  0.262090D+00 -0.971165D+00 -0.551317D+00
      2  -0.887228D-01 -0.195915D+00  0.357864D-01 -0.551317D+00  0.443899D+00
      3   0.262090D+00  0.357864D-01  0.170689D+01 -0.276188D+00  0.107761D+01
               141           142           143           144           145 
      1  -0.276188D+00  0.169027D+01  0.684058D-01  0.230121D+00 -0.160781D+01
      2   0.107761D+01  0.684058D-01  0.157141D+01  0.110473D+01  0.147919D+01
      3  -0.184207D+01  0.230121D+00  0.110473D+01  0.100992D+02  0.153919D+00
               146           147           148           149           150 
      1   0.147919D+01  0.153919D+00  0.294556D+01 -0.301897D+01 -0.979131D+00
      2  -0.333113D+01 -0.858261D+00 -0.301897D+01  0.951565D+01  0.212386D+01
      3  -0.858261D+00 -0.383647D+00 -0.979131D+00  0.212386D+01  0.178976D+01
               151           152           153           154           155 
      1  -0.102951D+01  0.259500D-02 -0.198329D+00  0.114595D+01 -0.466147D+00
      2   0.259500D-02 -0.520851D+00  0.109442D+01 -0.466147D+00  0.291574D+01
      3  -0.198329D+00  0.109442D+01  0.115530D+01 -0.639901D-01  0.977622D+00
               156           157           158           159           160 
      1  -0.639901D-01 -0.126461D+01  0.384628D+00  0.407329D+00 -0.797856D+00
      2   0.977622D+00  0.384628D+00 -0.757440D+01 -0.102632D+01  0.767495D+00
      3   0.312655D+00  0.407329D+00 -0.102632D+01 -0.125007D+01 -0.317260D+00
               161           162           163           164           165 
      1   0.767495D+00 -0.317260D+00 -0.329060D+01 -0.148457D+01  0.211896D+01
      2  -0.237944D+01 -0.141636D+01 -0.148457D+01 -0.136301D+01  0.164433D+01
      3  -0.141636D+01 -0.878783D+00  0.211896D+01  0.164433D+01 -0.280299D+01
               166           167           168           169           170 
      1  -0.569639D+00 -0.114142D+01  0.992431D+00  0.405230D+01  0.246903D+01
      2  -0.114142D+01 -0.244022D+01  0.136004D+01  0.246903D+01  0.267646D+01
      3   0.992431D+00  0.136004D+01 -0.103725D+01 -0.339524D+01 -0.257563D+01
               171           172           173           174           175 
      1  -0.339524D+01 -0.802645D+00  0.619595D+00 -0.711000D+00  0.576216D+00
      2  -0.257563D+01  0.619595D+00  0.256221D+00  0.281659D+00 -0.272761D+00
      3   0.511777D+01 -0.711000D+00  0.281659D+00  0.488540D+00  0.153860D+00
               176           177           178           179           180 
      1  -0.272761D+00  0.153860D+00 -0.252931D+01 -0.310216D+00 -0.269463D+01
      2  -0.599652D+00 -0.503034D+00 -0.310216D+00 -0.117271D+01 -0.705376D+00
      3  -0.503034D+00 -0.106462D+01 -0.269463D+01 -0.705376D+00 -0.925509D+01
               181           182           183           184           185 
      1  -0.104956D+02  0.282332D+01 -0.529758D+00  0.519387D+01 -0.184996D+01
      2   0.282332D+01 -0.183412D+01  0.196692D+00 -0.184996D+01  0.129549D+01
      3  -0.529758D+00  0.196692D+00 -0.113347D+01  0.255729D+00  0.196423D+00
               186           187           188           189 
      1   0.255729D+00  0.206341D+01 -0.385250D+00 -0.134526D+01
      2   0.196423D+00 -0.385250D+00  0.919527D+00  0.216352D+00
      3   0.593304D+00 -0.134526D+01  0.216352D+00 -0.457965D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.413880D+01  0.500153D+01 -0.645827D+01  0.519211D+01  0.826000D+01
      2  -0.222742D+01  0.254591D+01  0.183323D+01  0.459434D+01 -0.768665D+01
      3   0.220441D+00  0.445886D+01 -0.696811D+01  0.641764D+01 -0.300986D+01
                 6             7             8             9            10 
      1  -0.771098D+01 -0.365784D+01  0.395365D+01 -0.917963D+01 -0.124727D+00
      2   0.584082D+01 -0.532488D+01  0.239439D+01  0.595640D+01 -0.108767D+01
      3   0.359929D+01 -0.617262D+01  0.258098D+01  0.944566D+00  0.431434D+01
                11            12            13            14            15 
      1   0.100713D+01  0.255942D+01 -0.209082D+01  0.593523D+00 -0.410798D+01
      2  -0.113847D+00  0.380223D+01 -0.231030D+01  0.238067D+01 -0.559274D+01
      3  -0.797029D+01 -0.163052D+00  0.128524D+02 -0.328122D+01 -0.194768D+01
                16            17            18            19            20 
      1  -0.700543D+01  0.413235D+01  0.152191D+00  0.127409D-02 -0.233049D+01
      2  -0.919505D+01  0.192545D+01  0.240654D+00 -0.364877D+01 -0.854660D-03
      3  -0.653829D+00 -0.670414D+01  0.305013D+01 -0.841641D-03 -0.564403D+01
                21            22            23            24            25 
      1  -0.857077D-04  0.333722D+01 -0.461066D-03 -0.770878D+00 -0.116917D-02
      2   0.673656D+01 -0.101493D-03 -0.619357D+00  0.424809D-03 -0.135888D+02
      3   0.360269D-03  0.141781D+02 -0.300100D-02 -0.449724D+00  0.294060D-03
                26            27            28            29            30 
      1   0.366524D+01  0.214820D-02 -0.363955D+01  0.141637D+01  0.324644D+00
      2  -0.521016D-03  0.966014D+00  0.132305D+02  0.247487D+01  0.901291D+01
      3   0.593764D+01  0.217866D-02  0.963148D+01 -0.302754D+01  0.560353D+00
                31            32            33            34            35 
      1  -0.132448D+01  0.437144D+01  0.857816D+00  0.249072D+01  0.532228D+01
      2   0.449441D+01  0.101957D+02  0.856787D+01 -0.496686D+01  0.428737D+01
      3  -0.338875D+01 -0.964966D+01 -0.102032D+02 -0.313811D+01 -0.922641D+01
                36            37            38            39            40 
      1   0.294585D+01  0.166480D+01 -0.846562D+01 -0.418954D+01 -0.510219D+01
      2  -0.120028D+02 -0.791381D+00 -0.785591D+01 -0.610048D+01 -0.477326D+01
      3  -0.680942D+01  0.835135D+01 -0.825934D+01  0.785458D+01  0.958936D+00
                41            42            43            44            45 
      1  -0.485799D+01 -0.340848D+01 -0.603097D+01  0.575359D+01  0.102233D+01
      2  -0.404362D+01 -0.298354D+01 -0.752936D+01 -0.235220D+01 -0.100151D+01
      3   0.926284D+00  0.102013D+02  0.913290D+01  0.139038D+02  0.726906D+01
                46            47            48            49            50 
      1  -0.414033D+01  0.500054D+01  0.646304D+01  0.519114D+01 -0.825805D+01
      2  -0.222762D+01 -0.254500D+01  0.183468D+01 -0.459405D+01 -0.768444D+01
      3  -0.220747D+00  0.445428D+01  0.696805D+01  0.641343D+01  0.300788D+01
                51            52            53            54            55 
      1  -0.771365D+01  0.366527D+01  0.394842D+01  0.917382D+01  0.124797D+00
      2  -0.584273D+01 -0.532209D+01 -0.239760D+01  0.595480D+01 -0.108835D+01
      3   0.359856D+01  0.617153D+01  0.257984D+01 -0.946914D+00 -0.431303D+01
                56            57            58            59            60 
      1   0.100656D+01 -0.255950D+01 -0.209247D+01 -0.594044D+00 -0.410727D+01
      2   0.114398D+00  0.380250D+01  0.230995D+01  0.237809D+01  0.559211D+01
      3  -0.797135D+01  0.162925D+00  0.128532D+02  0.328589D+01 -0.194375D+01
                61            62            63            64            65 
      1   0.700530D+01  0.413150D+01 -0.150949D+00 -0.166176D+01 -0.846432D+01
      2  -0.919314D+01 -0.192237D+01  0.242767D+00 -0.791752D+00  0.786153D+01
      3   0.654759D+00 -0.670234D+01 -0.305360D+01 -0.835920D+01 -0.824202D+01
                66            67            68            69            70 
      1   0.418619D+01 -0.510124D+01  0.485985D+01 -0.340222D+01  0.602917D+01
      2  -0.609432D+01  0.477637D+01 -0.404888D+01  0.297664D+01 -0.752484D+01
      3  -0.786232D+01  0.974124D+00 -0.939112D+00  0.102079D+02 -0.913704D+01
                71            72            73            74            75 
      1   0.576254D+01 -0.102650D+01  0.363788D+01  0.141577D+01 -0.325481D+00
      2   0.233961D+01 -0.988929D+00  0.132328D+02 -0.248129D+01  0.900070D+01
      3   0.139116D+02 -0.725394D+01 -0.962929D+01 -0.302891D+01 -0.553386D+00
                76            77            78            79            80 
      1  -0.132366D+01 -0.437185D+01  0.855368D+00 -0.249307D+01  0.531913D+01
      2  -0.449796D+01  0.101964D+02 -0.855608D+01 -0.498332D+01 -0.427515D+01
      3  -0.339291D+01  0.966270D+01 -0.102055D+02  0.314147D+01 -0.922785D+01
                81            82            83            84            85 
      1  -0.294255D+01 -0.243319D+01 -0.365752D+01 -0.338587D+00 -0.252068D+01
      2  -0.120147D+02  0.190174D+01  0.914112D+00  0.113417D+01  0.268811D+01
      3   0.679897D+01  0.127502D+01 -0.325460D+01  0.881586D+00  0.447358D+01
                86            87            88            89            90 
      1  -0.107971D+02 -0.236188D+01 -0.350082D+00 -0.133019D+01  0.316762D+00
      2   0.168807D+01  0.152038D+01 -0.190830D+00  0.121309D+01 -0.891261D+00
      3  -0.463175D+01  0.555946D+00  0.127211D+01 -0.160819D+00 -0.679923D+00
                91            92            93            94            95 
      1   0.148639D+01  0.422313D-01  0.300510D+01 -0.330860D+00  0.131281D+01
      2  -0.271740D+01 -0.356148D+00 -0.105762D+01 -0.184749D+01 -0.651437D+00
      3  -0.797302D+00 -0.540692D+00 -0.373884D+00 -0.417294D+00  0.832257D-01
                96            97            98            99           100 
      1   0.316496D+01  0.358662D+00  0.368551D+01  0.134723D+02  0.983608D+00
      2  -0.267400D+01 -0.609808D+01  0.112089D+01 -0.108219D+02  0.239352D+01
      3   0.406375D+00 -0.239210D+01  0.114344D+01 -0.145480D+01 -0.140354D+01
               101           102           103           104           105 
      1  -0.377348D-01  0.289691D+00  0.144514D+00 -0.812010D+00 -0.716862D+00
      2   0.318081D+00 -0.151352D+01 -0.394093D+00  0.147374D+01 -0.338916D+01
      3  -0.158587D+00 -0.110422D+01 -0.205839D+00  0.157698D+01 -0.117864D+01
               106           107           108           109           110 
      1   0.526115D-01  0.419338D+01  0.137524D+01  0.330928D+01  0.178648D+01
      2   0.238904D+01 -0.181788D+01  0.261789D+02 -0.660844D+01 -0.142247D+01
      3   0.675946D+00 -0.377651D+01  0.189684D+01 -0.820847D+01 -0.872521D+01
               111           112           113           114           115 
      1  -0.659657D+00  0.212537D+01  0.116878D+01 -0.112752D+01 -0.482880D+00
      2   0.583232D+01 -0.281136D+01 -0.209485D+01  0.252365D+01  0.444647D+01
      3  -0.749794D+00 -0.327974D+01 -0.426410D+01  0.605327D+00  0.956681D+00
               116           117           118           119           120 
      1   0.341962D+00  0.677158D+00  0.942394D+00  0.269179D+01 -0.177501D+01
      2   0.115944D+01  0.357204D+00  0.631776D+00  0.145098D+01 -0.812808D-01
      3   0.271880D+01 -0.617801D+00  0.548403D+01  0.791517D+01 -0.308790D+01
               121           122           123           124           125 
      1   0.585277D+00  0.433633D+01 -0.508542D+01  0.358199D+00 -0.235047D+01
      2   0.669922D+00  0.176160D+01 -0.195201D+01 -0.246210D+00 -0.274659D+01
      3   0.611651D+01  0.201162D+02 -0.334126D+01 -0.391299D+01 -0.754841D+01
               126           127           128           129           130 
      1   0.254691D+01 -0.329015D+01  0.138043D+01  0.456541D+01  0.123794D+01
      2   0.139142D+01 -0.248407D+01  0.340133D+01  0.714652D+01  0.157903D+01
      3   0.349054D+01 -0.159455D+01 -0.234618D+01 -0.115398D+01 -0.189015D+00
               131           132           133           134           135 
      1  -0.700548D+00 -0.249488D+01  0.427623D+01 -0.802884D+00 -0.781933D+01
      2  -0.271291D+01 -0.256428D+01  0.308256D+01 -0.442262D+01 -0.103045D+02
      3   0.499786D+01  0.194055D+01  0.293880D+00  0.409984D+01  0.143312D+01
               136           137           138           139           140 
      1  -0.148725D+01  0.440633D-01 -0.300771D+01 -0.329895D+00 -0.131409D+01
      2  -0.272059D+01  0.356188D+00 -0.105981D+01  0.184944D+01 -0.651988D+00
      3   0.798293D+00 -0.540197D+00  0.374184D+00 -0.417091D+00 -0.835299D-01
               141           142           143           144           145 
      1   0.316617D+01 -0.361629D+00  0.368814D+01 -0.134678D+02  0.243318D+01
      2   0.267537D+01 -0.610105D+01 -0.111892D+01 -0.108210D+02  0.190245D+01
      3   0.405831D+00  0.239064D+01  0.114191D+01  0.145504D+01 -0.127548D+01
               146           147           148           149           150 
      1  -0.365807D+01  0.337842D+00 -0.252013D+01  0.107956D+02 -0.235912D+01
      2  -0.913816D+00  0.113396D+01 -0.268903D+01  0.168801D+01 -0.151978D+01
      3  -0.325424D+01 -0.881917D+00  0.447329D+01  0.462893D+01  0.555968D+00
               151           152           153           154           155 
      1   0.348867D+00 -0.132667D+01 -0.317681D+00 -0.942363D+00  0.269001D+01
      2  -0.192039D+00 -0.121234D+01 -0.892089D+00  0.634440D+00 -0.145361D+01
      3  -0.127088D+01 -0.159419D+00  0.680040D+00 -0.547662D+01  0.790575D+01
               156           157           158           159           160 
      1   0.177460D+01  0.584588D+00 -0.433627D+01 -0.508744D+01 -0.358276D+00
      2  -0.828055D-01 -0.672211D+00  0.176952D+01  0.195511D+01 -0.247734D+00
      3   0.309091D+01  0.611016D+01 -0.201114D+02 -0.334954D+01  0.391509D+01
               161           162           163           164           165 
      1  -0.235392D+01 -0.255192D+01  0.328845D+01  0.138191D+01 -0.456353D+01
      2   0.275182D+01  0.139558D+01 -0.248334D+01 -0.340268D+01  0.714308D+01
      3  -0.755894D+01 -0.349665D+01  0.159267D+01 -0.234733D+01  0.115679D+01
               166           167           168           169           170 
      1   0.123896D+01  0.701439D+00 -0.249748D+01 -0.427586D+01 -0.805863D+00
      2  -0.157945D+01 -0.271369D+01  0.256662D+01  0.308132D+01  0.442609D+01
      3  -0.189602D+00 -0.500092D+01  0.194066D+01 -0.292304D+00  0.410129D+01
               171           172           173           174           175 
      1   0.782219D+01 -0.983390D+00 -0.360322D-01 -0.290141D+00  0.144590D+00
      2  -0.103074D+02  0.239207D+01 -0.316753D+00 -0.150485D+01  0.394622D+00
      3  -0.143751D+01  0.140509D+01 -0.160925D+00  0.110280D+01 -0.206642D+00
               176           177           178           179           180 
      1   0.810766D+00 -0.716132D+00 -0.527264D-01  0.419353D+01 -0.137281D+01
      2   0.147231D+01  0.338139D+01  0.239856D+01  0.181064D+01  0.261819D+02
      3  -0.157518D+01 -0.117752D+01 -0.676508D+00 -0.377720D+01 -0.188955D+01
               181           182           183           184           185 
      1  -0.330814D+01  0.178497D+01  0.661585D+00  0.212500D+01 -0.116819D+01
      2  -0.661272D+01  0.142503D+01  0.583422D+01  0.281312D+01 -0.209634D+01
      3   0.820653D+01 -0.872516D+01  0.745995D+00 -0.327915D+01  0.426370D+01
               186           187           188           189 
      1  -0.112852D+01  0.484730D+00  0.341303D+00 -0.677673D+00
      2  -0.252607D+01  0.445103D+01 -0.116243D+01  0.352074D+00
      3   0.607451D+00 -0.958934D+00  0.272290D+01  0.619593D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.888096D+01  0.157392D+02 -0.539830D+01  0.717610D+01 -0.377234D+01
      2  -0.140927D+01 -0.187579D+02  0.127387D+02 -0.110615D+02 -0.144451D+02
      3   0.102902D+02  0.301873D+01 -0.734038D+01  0.388542D+01  0.182174D+02
      4   0.766951D+01 -0.498492D+01 -0.422382D+01 -0.826107D+01 -0.162593D+02
      5  -0.151292D+02 -0.258897D+01  0.135037D+02  0.137162D+01  0.259630D+01
      6  -0.167533D+02  0.827500D+01  0.258763D+01  0.961842D+01 -0.784971D+00
                 6             7             8             9            10 
      1   0.104730D+02  0.106622D+01  0.711869D+01  0.897564D+01  0.132520D+00
      2   0.448848D+00  0.430182D+01 -0.369796D+01  0.129022D+02 -0.163973D+01
      3  -0.109219D+02 -0.536803D+01 -0.342073D+01 -0.218779D+02  0.150721D+01
      4   0.489429D+00 -0.727473D+01 -0.460517D+01  0.843667D+01  0.389405D+01
      5   0.378102D+01  0.107204D+02  0.591141D+01 -0.394640D+01 -0.127032D+02
      6   0.818638D+01  0.539677D+01  0.888952D+01 -0.562159D+01  0.219869D+01
                11            12            13            14            15 
      1   0.475947D+00 -0.575833D+01 -0.183634D+01 -0.907456D+00 -0.656587D+01
      2   0.241876D+01  0.224708D+01  0.515147D+01 -0.119498D+01  0.260820D+01
      3  -0.289471D+01  0.351125D+01 -0.331513D+01  0.210243D+01  0.395767D+01
      4  -0.139144D+01  0.491622D+01 -0.717077D+01  0.911287D+01  0.257239D+01
      5   0.650148D+01 -0.183441D+01 -0.299621D+01  0.102258D+01 -0.315782D+01
      6  -0.208164D+01  0.149355D+01 -0.438714D+01  0.212078D+01 -0.557676D+00
                16            17            18            19            20 
      1  -0.116939D+02 -0.394735D+01 -0.363134D+00 -0.447691D+01 -0.182006D-02
      2   0.643894D+01  0.233705D+01 -0.260271D+01  0.682626D+01 -0.331181D-03
      3   0.525500D+01  0.161029D+01  0.296585D+01 -0.234936D+01  0.215124D-02
      4   0.119331D+01  0.725715D+01 -0.225776D+01 -0.414770D-02 -0.523933D+00
      5  -0.160691D+01 -0.133505D+01  0.324823D-01  0.137766D+02  0.107828D-02
      6   0.554390D+01 -0.170935D+01  0.192010D+01  0.320911D-02  0.246520D+01
                21            22            23            24            25 
      1   0.166495D+01 -0.115511D-02 -0.116544D+01  0.220945D-02 -0.556715D+01
      2  -0.372939D+01 -0.215523D-02  0.373019D+01 -0.103388D-02  0.513219D+00
      3   0.206444D+01  0.331034D-02 -0.256475D+01 -0.117557D-02  0.505393D+01
      4   0.201167D-02 -0.422996D+01  0.159225D-02  0.867585D+00  0.453144D-02
      5  -0.861628D+01  0.603310D-02  0.598014D+00  0.412517D-03 -0.164109D+02
      6  -0.336315D-03  0.798493D+01  0.634244D-03 -0.320291D+01  0.152257D-02
                26            27            28            29            30 
      1  -0.377706D-03 -0.283857D+01 -0.759372D+01 -0.193666D+02  0.173258D+02
      2   0.108246D-02  0.168499D+01 -0.118695D+01  0.889401D+01 -0.101877D+02
      3  -0.704755D-03  0.115359D+01  0.878067D+01  0.104726D+02 -0.713803D+01
      4   0.112338D+01 -0.394058D-03 -0.253180D+02 -0.152789D+01 -0.407680D+01
      5  -0.753400D-03  0.584435D+01  0.235566D+02 -0.474337D+01  0.149332D+02
      6  -0.214988D+01 -0.210178D-02 -0.589710D+01  0.625745D+00 -0.325010D+01
                31            32            33            34            35 
      1  -0.301605D+02  0.715328D+01 -0.273555D+00  0.291663D+02  0.329112D+01
      2   0.137474D+02 -0.746569D+01 -0.363683D+01 -0.133617D+02 -0.544754D+01
      3   0.164131D+02  0.312408D+00  0.391038D+01 -0.158045D+02  0.215642D+01
      4   0.832227D+01  0.141358D+02  0.166018D+02  0.301385D+01  0.117436D+02
      5  -0.511529D+01  0.187525D+02  0.117432D+02  0.105277D+02  0.745123D+01
      6  -0.142005D+00  0.259887D+01  0.174321D+01 -0.231449D+01  0.181819D+01
                36            37            38            39            40 
      1   0.186728D+02 -0.231900D+00 -0.662937D+01 -0.711981D+01 -0.436158D+01
      2   0.124756D+01  0.810438D+01 -0.778281D+01  0.538711D+01 -0.767800D+01
      3  -0.199204D+02 -0.787248D+01  0.144122D+02  0.173270D+01  0.120396D+02
      4   0.623909D+01 -0.119121D+02  0.137074D+02 -0.134247D+02  0.169596D+02
      5  -0.123086D+02  0.554996D+01 -0.155680D+02 -0.171402D+02 -0.665065D+01
      6   0.352661D+01  0.153566D+00  0.860499D+01  0.949005D+01  0.522247D+01
                41            42            43            44            45 
      1   0.109751D+02 -0.109118D+02 -0.490516D+00 -0.211958D+02 -0.132354D+02
      2  -0.280539D+01  0.125658D+02  0.220993D+01  0.179236D+02  0.959455D+01
      3  -0.816971D+01 -0.165400D+01 -0.171941D+01  0.327223D+01  0.364087D+01
      4  -0.219321D+02 -0.405647D+01 -0.182166D+02 -0.298124D+01  0.475031D+01
      5  -0.785650D+01 -0.410849D+00 -0.151839D+02  0.178904D+01  0.637788D+01
      6   0.645220D+01 -0.121960D+01  0.115767D+02 -0.361676D+01 -0.286382D+01
                46            47            48            49            50 
      1  -0.888201D+01 -0.157348D+02 -0.539315D+01 -0.717895D+01 -0.376643D+01
      2  -0.141692D+01  0.187515D+02  0.127466D+02  0.110568D+02 -0.144441D+02
      3   0.102989D+02 -0.301669D+01 -0.735347D+01 -0.387780D+01  0.182105D+02
      4  -0.765631D+01 -0.498767D+01  0.421757D+01 -0.826391D+01  0.162592D+02
      5  -0.151262D+02  0.258242D+01  0.135049D+02 -0.138156D+01  0.260510D+01
      6   0.167453D+02  0.827933D+01 -0.258450D+01  0.962519D+01  0.770153D+00
                51            52            53            54            55 
      1  -0.104727D+02  0.107478D+01 -0.711806D+01  0.897230D+01  0.115594D+00
      2  -0.456624D+00  0.430921D+01  0.368572D+01  0.128941D+02 -0.163132D+01
      3   0.109293D+02 -0.538399D+01  0.343234D+01 -0.218664D+02  0.151573D+01
      4   0.499143D+00  0.726906D+01 -0.459610D+01 -0.843829D+01 -0.389762D+01
      5  -0.377506D+01  0.107234D+02 -0.591061D+01 -0.396123D+01 -0.127066D+02
      6   0.817878D+01 -0.539774D+01  0.888443D+01  0.563479D+01 -0.219834D+01
                56            57            58            59            60 
      1  -0.477909D+00 -0.575838D+01  0.184021D+01 -0.912332D+00  0.656407D+01
      2  -0.241657D+01  0.224854D+01 -0.515177D+01 -0.119216D+01 -0.260780D+01
      3   0.289448D+01  0.350984D+01  0.331156D+01  0.210449D+01 -0.395627D+01
      4  -0.138805D+01 -0.491572D+01 -0.717364D+01 -0.911916D+01  0.256817D+01
      5  -0.649938D+01 -0.183635D+01  0.299934D+01  0.102007D+01  0.315732D+01
      6  -0.208207D+01 -0.149358D+01 -0.438497D+01 -0.211729D+01 -0.556097D+00
                61            62            63            64            65 
      1  -0.116972D+02  0.394915D+01 -0.355255D+00 -0.227111D+00  0.665434D+01
      2   0.644101D+01 -0.233873D+01 -0.260630D+01  0.810713D+01  0.775660D+01
      3   0.525619D+01 -0.161042D+01  0.296156D+01 -0.788001D+01 -0.144109D+02
      4  -0.119243D+01  0.725418D+01  0.226471D+01  0.119272D+02  0.137012D+02
      5  -0.159722D+01  0.134185D+01  0.382431D-01  0.554077D+01  0.155742D+02
      6  -0.554200D+01 -0.170744D+01 -0.192144D+01 -0.155459D+00  0.861318D+01
                66            67            68            69            70 
      1  -0.712637D+01  0.437748D+01  0.109627D+02  0.109209D+02 -0.498915D+00
      2   0.540011D+01  0.766053D+01 -0.279202D+01 -0.125747D+02  0.222121D+01
      3   0.172626D+01 -0.120380D+02 -0.817064D+01  0.165376D+01 -0.172229D+01
      4   0.134304D+02  0.169527D+02  0.219304D+02 -0.405468D+01  0.182176D+02
      5  -0.171260D+02  0.665604D+01 -0.785589D+01  0.400610D+00 -0.151723D+02
      6  -0.948392D+01  0.522943D+01 -0.645787D+01 -0.123255D+01 -0.115727D+02
                71            72            73            74            75 
      1   0.212028D+02 -0.132111D+02 -0.755549D+01  0.193655D+02  0.173505D+02
      2  -0.179336D+02  0.957535D+01 -0.120784D+01 -0.889158D+01 -0.101946D+02
      3  -0.326923D+01  0.363574D+01  0.876333D+01 -0.104739D+02 -0.715592D+01
      4  -0.298275D+01 -0.476408D+01  0.253139D+02 -0.153322D+01  0.406242D+01
      5  -0.180572D+01  0.639197D+01  0.235839D+02  0.472796D+01  0.149192D+02
      6  -0.363316D+01  0.287298D+01  0.588967D+01  0.624530D+00  0.324438D+01
                76            77            78            79            80 
      1   0.301541D+02  0.715584D+01  0.257802D+00  0.291930D+02 -0.330737D+01
      2  -0.137413D+02 -0.746594D+01  0.363898D+01 -0.133673D+02  0.544870D+01
      3  -0.164128D+02  0.310103D+00 -0.389678D+01 -0.158257D+02 -0.214134D+01
      4   0.832142D+01 -0.141535D+02  0.166024D+02 -0.302763D+01  0.117444D+02
      5   0.509659D+01  0.187532D+02 -0.117309D+02  0.105001D+02 -0.744028D+01
      6  -0.142208D+00 -0.260297D+01  0.174565D+01  0.231024D+01  0.181977D+01
                81            82            83            84            85 
      1   0.186477D+02  0.346010D+01 -0.384635D+01  0.190851D+01 -0.241675D+01
      2   0.126732D+01  0.431678D+01  0.111283D+02 -0.294239D+01  0.104818D+02
      3  -0.199150D+02 -0.777689D+01 -0.728191D+01  0.103387D+01 -0.806503D+01
      4  -0.622806D+01  0.100753D+02  0.175976D+02 -0.331220D+01  0.164177D+02
      5  -0.123432D+02 -0.234595D+01 -0.477816D+01  0.363910D+01 -0.568680D+01
      6  -0.351962D+01 -0.237523D+01 -0.740882D+01  0.361713D+01 -0.800473D+01
                86            87            88            89            90 
      1  -0.232348D+02  0.680133D+01  0.252516D+01  0.592964D+00 -0.549827D+01
      2   0.447980D+02 -0.678046D+01 -0.726854D+00  0.388254D+01  0.180937D+01
      3  -0.215631D+02 -0.208741D-01 -0.179830D+01 -0.447551D+01  0.368890D+01
      4   0.308835D+02 -0.748488D+01  0.180376D+01  0.124071D+01  0.329339D+01
      5  -0.850690D+01  0.519079D+01  0.146980D+01  0.294356D+01 -0.197410D+01
      6  -0.213477D+02  0.116129D+02  0.161845D+01  0.643809D+01 -0.351965D+01
                91            92            93            94            95 
      1  -0.312415D+00 -0.120962D+00 -0.500627D+01 -0.269868D+01 -0.383727D+01
      2  -0.243704D+01  0.109036D+01 -0.339289D+01  0.219038D+01  0.184534D+01
      3   0.274945D+01 -0.969398D+00  0.839916D+01  0.508294D+00  0.199193D+01
      4  -0.102611D+01  0.206851D+01 -0.134521D+01  0.256924D+01  0.193795D+01
      5   0.201913D+01 -0.266606D+00  0.465101D+01  0.167119D+01 -0.187360D+01
      6   0.488280D+00  0.263223D+00 -0.340335D+01 -0.140519D+01 -0.792178D+00
                96            97            98            99           100 
      1  -0.418861D+01 -0.261711D+01  0.564723D+01 -0.319188D+02  0.623587D+01
      2  -0.635390D+01  0.353429D-01 -0.228253D+01 -0.214474D+02 -0.541550D+01
      3   0.105425D+02  0.258177D+01 -0.336470D+01  0.533662D+02 -0.820372D+00
      4  -0.184794D+01 -0.171688D+01 -0.291257D+01  0.817211D+00  0.290798D+01
      5  -0.227143D+01  0.574363D+01  0.136565D+01 -0.105066D+02  0.367845D+01
      6   0.488764D+01 -0.442882D+00  0.884146D+01 -0.163928D+02 -0.182031D+00
               101           102           103           104           105 
      1   0.215355D+01  0.630069D+01  0.395509D+01 -0.261517D+01  0.267054D+01
      2  -0.107790D+01 -0.194786D+01 -0.181806D+01  0.507268D+00  0.790595D+00
      3  -0.107565D+01 -0.435282D+01 -0.213703D+01  0.210790D+01 -0.346113D+01
      4   0.531341D+00  0.479715D+00  0.311631D+01 -0.284436D+01  0.236200D+01
      5   0.121310D+01  0.317908D+01  0.546770D+00  0.219632D+01 -0.490614D+01
      6  -0.806082D+00  0.436063D+00  0.134955D+01 -0.195614D+01  0.644506D+01
               106           107           108           109           110 
      1   0.681118D+01  0.149574D+01 -0.119671D+02  0.774553D+02  0.195233D+02
      2  -0.109710D+02  0.518959D+00 -0.219198D+02 -0.379024D+02 -0.906898D+01
      3   0.415977D+01 -0.201470D+01  0.338869D+02 -0.395529D+02 -0.104543D+02
      4  -0.124786D+01  0.611097D+01 -0.270169D+01  0.232038D+02  0.154140D+02
      5   0.193087D+02 -0.332008D+01  0.466192D+02  0.681967D+01  0.247931D+01
      6  -0.186817D+01  0.587985D+01 -0.686252D+01  0.280345D+01  0.164343D+01
               111           112           113           114           115 
      1   0.209501D+01  0.323623D+02  0.113692D+02  0.125288D+01 -0.143755D+02
      2  -0.241546D+01 -0.144127D+02 -0.238803D+01 -0.153236D+01  0.578398D+01
      3   0.320457D+00 -0.179496D+02 -0.898119D+01  0.279485D+00  0.859153D+01
      4   0.164766D+01  0.173601D+02  0.111279D+02 -0.855753D+00 -0.340032D+01
      5   0.101861D+02  0.406318D+01 -0.947080D+00  0.428419D+01  0.108608D+02
      6   0.682816D+00  0.175266D+01  0.989810D+00  0.174296D+01  0.348229D+00
               116           117           118           119           120 
      1  -0.270225D+01  0.588308D+01 -0.332906D+01 -0.981443D+01  0.234301D+01
      2   0.113235D+01 -0.537674D+01  0.373439D+01  0.143213D+02 -0.270531D+01
      3   0.156991D+01 -0.506344D+00 -0.405334D+00 -0.450684D+01  0.362299D+00
      4  -0.512160D+01  0.213120D+01  0.274457D+01 -0.314853D+01  0.201343D+01
      5   0.214161D+01  0.164234D+01 -0.371997D+00  0.326287D+01  0.383522D+00
      6   0.167898D+01 -0.840475D+00 -0.143935D+01 -0.308646D+01  0.181499D+01
               121           122           123           124           125 
      1  -0.592913D+01 -0.252811D+02  0.487580D+01  0.384089D+01  0.108332D+02
      2   0.492317D+01  0.395743D+02 -0.647282D+01 -0.285883D+01 -0.129623D+02
      3   0.100597D+01 -0.142933D+02  0.159702D+01 -0.982059D+00  0.212915D+01
      4   0.432151D+01 -0.197332D+02  0.153969D+01  0.113730D+01  0.507346D+01
      5   0.197076D+01  0.287444D+01 -0.507633D+01  0.369727D+01 -0.468956D+01
      6  -0.151233D+01 -0.620300D+01  0.721314D+01 -0.662904D+00  0.881035D+01
               126           127           128           129           130 
      1  -0.399039D+01  0.164288D+02 -0.410696D+01 -0.641753D+01 -0.171015D+00
      2   0.390502D+01 -0.101386D+02  0.143493D+01  0.452856D+01 -0.144948D+01
      3   0.853635D-01 -0.629020D+01  0.267203D+01  0.188897D+01  0.162049D+01
      4  -0.374732D+01 -0.138224D+02  0.114532D+02  0.118447D+02  0.932902D+01
      5   0.202919D+01 -0.171337D+02  0.107594D+02  0.195534D+02  0.610078D+01
      6  -0.445622D+01  0.826454D+01 -0.726277D+01 -0.919682D+01 -0.565660D+01
               131           132           133           134           135 
      1  -0.223991D+01  0.774153D+00 -0.120042D+02  0.275260D+01  0.369463D+01
      2   0.565482D+01  0.127785D+01  0.833652D+01 -0.183560D+00 -0.101148D+02
      3  -0.341491D+01 -0.205200D+01  0.366768D+01 -0.256904D+01  0.642017D+01
      4  -0.128090D+02 -0.892513D+01  0.178762D+02 -0.163676D+02 -0.165452D+02
      5  -0.855866D+01 -0.654876D+01  0.235121D+02 -0.154104D+02 -0.300571D+02
      6   0.679703D+01  0.829405D+01 -0.126573D+02  0.135027D+02  0.180133D+02
               136           137           138           139           140 
      1  -0.313446D+00  0.120363D+00 -0.501102D+01  0.270003D+01 -0.383763D+01
      2  -0.243709D+01 -0.108871D+01 -0.339820D+01 -0.218885D+01  0.184377D+01
      3   0.275054D+01  0.968345D+00  0.840922D+01 -0.511182D+00  0.199387D+01
      4   0.102639D+01  0.206706D+01  0.134448D+01  0.256929D+01 -0.193650D+01
      5   0.202268D+01  0.266114D+00  0.465018D+01 -0.167112D+01 -0.187316D+01
      6  -0.488520D+00  0.264133D+00  0.340415D+01 -0.140501D+01  0.789671D+00
               141           142           143           144           145 
      1   0.419305D+01 -0.262119D+01 -0.564115D+01 -0.319175D+02  0.346049D+01
      2   0.635480D+01  0.306905D-01  0.228402D+01 -0.214469D+02  0.431554D+01
      3  -0.105478D+02  0.259050D+01  0.335713D+01  0.533644D+02 -0.777603D+01
      4  -0.184798D+01  0.171541D+01 -0.291068D+01 -0.813685D+00 -0.100763D+02
      5   0.227063D+01  0.574098D+01 -0.136311D+01 -0.104942D+02 -0.234947D+01
      6   0.488852D+01  0.445899D+00  0.883744D+01  0.163762D+02  0.237888D+01
               146           147           148           149           150 
      1   0.384725D+01  0.190903D+01  0.241641D+01 -0.232312D+02 -0.680560D+01
      2  -0.111257D+02 -0.294347D+01 -0.104769D+02  0.447806D+02  0.678494D+01
      3   0.727840D+01  0.103444D+01  0.806046D+01 -0.215494D+02  0.206527D-01
      4   0.175960D+02  0.331617D+01  0.164144D+02 -0.308738D+02 -0.748939D+01
      5   0.478188D+01  0.364101D+01  0.568988D+01 -0.851164D+01 -0.519380D+01
      6  -0.741280D+01 -0.361994D+01 -0.800879D+01  0.213573D+02  0.116182D+02
               151           152           153           154           155 
      1   0.252427D+01 -0.598166D+00 -0.550015D+01 -0.332444D+01  0.980272D+01
      2  -0.728732D+00 -0.387314D+01  0.180879D+01  0.372883D+01 -0.143045D+02
      3  -0.179553D+01  0.447131D+01  0.369136D+01 -0.404387D+00  0.450176D+01
      4  -0.180002D+01  0.123330D+01 -0.329387D+01 -0.274363D+01 -0.314372D+01
      5   0.147016D+01 -0.294450D+01 -0.197598D+01 -0.371850D+00 -0.326368D+01
      6  -0.161949D+01  0.644054D+01  0.352353D+01  0.144187D+01 -0.309257D+01
               156           157           158           159           160 
      1   0.234790D+01  0.592243D+01 -0.252725D+02 -0.488614D+01  0.384502D+01
      2  -0.270952D+01 -0.491364D+01  0.395629D+02  0.648560D+01 -0.286056D+01
      3   0.361619D+00 -0.100879D+01 -0.142904D+02 -0.159946D+01 -0.984460D+00
      4  -0.201378D+01  0.432575D+01  0.197408D+02  0.154857D+01 -0.113345D+01
      5   0.382639D+00 -0.196932D+01  0.288317D+01  0.507975D+01  0.369624D+01
      6  -0.181589D+01 -0.151288D+01  0.622291D+01  0.721913D+01  0.662536D+00
               161           162           163           164           165 
      1  -0.108454D+02 -0.399890D+01  0.164111D+02  0.410181D+01 -0.640978D+01
      2   0.129781D+02  0.391185D+01 -0.101264D+02 -0.142951D+01  0.451877D+01
      3  -0.213265D+01  0.870481D-01 -0.628477D+01 -0.267229D+01  0.189101D+01
      4   0.508738D+01  0.375366D+01  0.138141D+02  0.114531D+02 -0.118431D+02
      5   0.469658D+01  0.203654D+01 -0.171186D+02 -0.107585D+02  0.195411D+02
      6   0.882080D+01  0.446698D+01 -0.826091D+01 -0.726259D+01  0.919289D+01
               166           167           168           169           170 
      1   0.170994D+00 -0.224280D+01 -0.773742D+00 -0.119970D+02 -0.274857D+01
      2   0.145153D+01  0.566042D+01 -0.127859D+01  0.832666D+01  0.179068D+00
      3  -0.162252D+01 -0.341762D+01  0.205233D+01  0.367032D+01  0.256951D+01
      4   0.933244D+01  0.128186D+02 -0.892767D+01 -0.178762D+02 -0.163735D+02
      5  -0.610318D+01 -0.856091D+01  0.655391D+01  0.235018D+02  0.154159D+02
      6  -0.565846D+01 -0.680174D+01  0.829909D+01  0.126565D+02  0.135102D+02
               171           172           173           174           175 
      1   0.368326D+01  0.624246D+01 -0.215769D+01  0.629682D+01 -0.395831D+01
      2  -0.101034D+02 -0.542079D+01  0.107971D+01 -0.195338D+01  0.182050D+01
      3   0.642011D+01 -0.821671D+00  0.107798D+01 -0.434345D+01  0.213781D+01
      4   0.165493D+02 -0.290976D+01  0.534615D+00 -0.479569D+00  0.311807D+01
      5  -0.300550D+02  0.368376D+01 -0.121251D+01  0.319229D+01 -0.548991D+00
      6  -0.180202D+02  0.180934D+00 -0.804189D+00 -0.433092D+00  0.135047D+01
               176           177           178           179           180 
      1  -0.261149D+01 -0.266388D+01  0.681407D+01 -0.148946D+01 -0.119485D+02
      2   0.505223D+00 -0.788807D+00 -0.109809D+02 -0.516233D+00 -0.219316D+02
      3   0.210627D+01  0.345268D+01  0.416679D+01  0.200569D+01  0.338801D+02
      4   0.284157D+01  0.236208D+01  0.124441D+01  0.611211D+01  0.268992D+01
      5   0.219660D+01  0.489403D+01  0.193286D+02  0.330822D+01  0.466395D+02
      6   0.195097D+01  0.644142D+01  0.186513D+01  0.587699D+01  0.684520D+01
               181           182           183           184           185 
      1   0.774448D+02 -0.195275D+02  0.207190D+01 -0.323625D+02  0.113708D+02
      2  -0.378933D+02  0.906930D+01 -0.240286D+01  0.144104D+02 -0.238754D+01
      3  -0.395515D+02  0.104582D+02  0.330963D+00  0.179521D+02 -0.898329D+01
      4  -0.232107D+02  0.154169D+02 -0.163978D+01  0.173643D+02 -0.111296D+02
      5   0.678652D+01 -0.247059D+01  0.101827D+02 -0.404909D+01 -0.954011D+00
      6  -0.279817D+01  0.164121D+01 -0.682099D+00  0.174854D+01 -0.986397D+00
               186           187           188           189 
      1  -0.124403D+01 -0.144057D+02  0.271048D+01  0.588693D+01
      2   0.152844D+01  0.579969D+01 -0.113564D+01 -0.537829D+01
      3  -0.284414D+00  0.860597D+01 -0.157484D+01 -0.508635D+00
      4  -0.861992D+00  0.341068D+01 -0.512939D+01 -0.213510D+01
      5  -0.428474D+01  0.108643D+02 -0.214535D+01  0.163195D+01
      6   0.174282D+01 -0.348569D+00  0.167877D+01  0.840865D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.654523D-03      0.166363D-02      0.554928D-02
   x         -0.225010D-04     -0.571917D-04     -0.190771D-03
   y          0.653948D-03      0.166217D-02      0.554440D-02
   z         -0.157066D-04     -0.399221D-04     -0.133166D-03

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.100344D+03      0.148694D+02      0.165444D+02
   aniso      0.242171D+02      0.358861D+01      0.399287D+01
   xx         0.116206D+03      0.172199D+02      0.191597D+02
   yx        -0.255793D-03     -0.379047D-04     -0.421746D-04
   yy         0.947191D+02      0.140359D+02      0.156171D+02
   zx         0.121317D+01      0.179773D+00      0.200024D+00
   zy         0.246040D-03      0.364594D-04      0.405665D-04
   zz         0.901064D+02      0.133524D+02      0.148565D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.104699D+03      0.155148D+02      0.172625D+02
   aniso      0.260819D+02      0.386494D+01      0.430033D+01
   xx         0.121695D+03      0.180333D+02      0.200648D+02
   yx        -0.363300D-03     -0.538354D-04     -0.599000D-04
   yy         0.989114D+02      0.146572D+02      0.163083D+02
   zx         0.166135D+01      0.246186D+00      0.273919D+00
   zy         0.909983D-04      0.134846D-04      0.150036D-04
   zz         0.934901D+02      0.138538D+02      0.154144D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          1.60971765          2.09535044          2.13384642
     6          2.54110098          0.40976533          0.06114975
     6          0.03923479         -0.02527079          1.11222308
     6          4.83707838         -1.07291822         -0.50382410
     6          3.69407583          0.70445291         -2.46629316
     6         -1.45867472         -2.19322439          2.14345246
     6         -2.53102170         -0.41606101          0.22084574
     6         -3.85956152         -0.59666367         -2.23003253
     6         -4.85921930          1.08648272         -0.11242284
     1          2.43261392          1.87711849          3.99773469
     1          1.06346297          4.01098995          1.65049683
     1          4.63986261         -3.08642098         -0.81564957
     1          6.60238006         -0.51354862          0.36734977
     1          2.74471509         -0.13929110         -4.07072456
     1          4.70819114          2.43208515         -2.88493331
     1         -0.95039067         -4.08375492          1.53580510
     1         -2.14824446         -2.06196589          4.06858086
     1         -3.02473668          0.32183639         -3.85689492
     1         -4.90276150         -2.30530289         -2.65510009
     1         -4.68200186          3.11256216         -0.34461179
     1         -6.55948409          0.48421184          0.85428220

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.654523D-03      0.166363D-02      0.554928D-02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.654523D-03      0.166363D-02      0.554928D-02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.100344D+03      0.148694D+02      0.165444D+02
   aniso      0.242171D+02      0.358861D+01      0.399287D+01
   xx         0.116231D+03      0.172237D+02      0.191640D+02
   yx        -0.295500D+00     -0.437885D-01     -0.487213D-01
   yy         0.900558D+02      0.133449D+02      0.148482D+02
   zx        -0.764710D+00     -0.113318D+00     -0.126084D+00
   zy        -0.961984D-01     -0.142551D-01     -0.158610D-01
   zz         0.947438D+02      0.140396D+02      0.156211D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.104699D+03      0.155148D+02      0.172625D+02
   aniso      0.260819D+02      0.386494D+01      0.430033D+01
   xx         0.121747D+03      0.180411D+02      0.200734D+02
   yx        -0.668834D+00     -0.991110D-01     -0.110276D+00
   yy         0.934110D+02      0.138421D+02      0.154014D+02
   zx        -0.819958D+00     -0.121505D+00     -0.135193D+00
   zy        -0.101989D+00     -0.151131D-01     -0.168156D-01
   zz         0.989380D+02      0.146611D+02      0.163127D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F16-33\Freq\RwB97XD\Gen\C9H12\PIERPA\08-Jul-2021\0\\#P wB
 97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gues
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 L-G16RevA.03\State=1-A\HF=-350.184084\RMSD=6.763e-09\RMSF=3.867e-06\Ze
 roPoint=0.1816545\Thermal=0.1902387\Dipole=-0.0000225,0.0006539,-0.000
 0157\DipoleDeriv=0.0441472,0.0229242,0.0418348,-0.0035406,0.0325966,0.
 0982814,0.0410455,0.11593,-0.0071946,-0.0431092,0.1814136,-0.0811574,0
 .200245,0.0217823,0.074772,-0.1110469,0.0479791,0.1274627,-0.0851046,0
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 ,-0.0177519,-0.0920952,0.0706065,0.0169918,0.0676769,0.0634634,-0.0031
 646,0.0186208,-0.097179,0.069983,0.0559411,0.0458379,-0.0997053,0.0447
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 0.0084629,0.0176072,0.0262239,0.0165998,0.0318692,-0.0744543,0.0342653
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 @


 THE WHOLE OF SCIENCE IS NOTHING MORE THAN A REFINEMENT OF EVERYDAY THINKING.
                                                              -- A. EINSTEIN
 Job cpu time:       0 days  6 hours 20 minutes 12.4 seconds.
 Elapsed time:       0 days  0 hours 23 minutes 48.4 seconds.
 File lengths (MBytes):  RWF=    267 Int=      0 D2E=      0 Chk=     10 Scr=      2
 Normal termination of Gaussian 16 at Thu Jul  8 22:04:46 2021.
